CID 89736

22504-72-9

Structural Information

Molecular Formula

C₂H₈N₂O₂S

SMILES

CNS(=O)(=O)NC

InChI

InChI=1S/C2H8N2O2S/c1-3-7(5,6)4-2/h3-4H,1-2H3

InChIKey

SQNVFBHILRFQJY-UHFFFAOYSA-N

Compound name

N-(methylsulfamoyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 436
Patents: 124.03065 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	125.03793	120.4
[M+Na]+	147.01987	128.2
[M-H]-	123.02337	121.3
[M+NH4]+	142.06447	142.4
[M+K]+	162.99381	127.4
[M+H-H2O]+	107.02791	115.5
[M+HCOO]-	169.02885	141.0
[M+CH3COO]-	183.04450	171.1
[M+Na-2H]-	145.00532	127.0
[M]+	124.03010	121.3
[M]-	124.03120	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe