1-METHYLGUANIDINE SULFATE(598-12-9) MS
Product Name1-METHYLGUANIDINE SULFATE
CAS598-12-9
Molecular FormulaC4H16N6O4S
Molecular Weight244.27
InChIInChI=1S/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)
InChIKey WTYJBGQERCCGAD-UHFFFAOYSA-N
SmilesS(=O)(=O)(O)O.C(=N)(N)NC.C(=N)(N)NC
-
MassMS-IW-3880 1-methylguanidine sulfate C2H7N3 1/2H2O4S (Mass of molecular ion: 73)
Source Temperature: 180 °C Sample Temperature: 240 °C Direct, 75 eV
12.0 1.7 13.0 2.2 14.0 2.1 15.0 13.4 16.0 50.6 17.0 60.5 18.0 19.5 22.0 1.8 26.0 2.7 27.0 15.3 28.0 79.7 29.0 24.1 30.0 95.1 31.0 81.9 32.0 2.6 41.0 5.6 42.0 47.5 43.0 62.9 44.0 100.0 45.0 3.1 48.0 4.4 53.0 1.5 55.0 11.0 56.0 10.7 57.0 13.6 58.0 1.6 60.0 2.8 64.0 8.6 68.0 1.1 69.0 2.6 72.0 11.5 73.0 36.4 74.0 5.7 80.0 2.9 83.0 1.3 84.0 1.0 94.0 1.2 98.0 1.6 99.0 1.0 111.0 1.1 112.0 1.7 126.0 1.2 140.0 1.0 141.0 5.0 155.0 2.6
parameter in D2O
-
1H NMR 300 MHz C2 H7 N3 0.028 g : 0.5 ml D2O 1-methylguanidine sulfate 
Parameter ppm Hz
D(A) 2.831
Hz ppm Int.849.30 2.831 1000
in D2O
KBr disc
nujol mull
