CID 12328189

Cyanomethanesulfonamide

Structural Information

Molecular Formula

C₂H₄N₂O₂S

SMILES

C(C#N)S(=O)(=O)N

InChI

InChI=1S/C2H4N2O2S/c3-1-2-7(4,5)6/h2H2,(H2,4,5,6)

InChIKey

PLEATGIFHFOQGS-UHFFFAOYSA-N

Compound name

cyanomethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 119.99935 Da
Monoisotopic Mass: -2.1
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]+	121.00663	120.1
[M+Na]+	142.98857	128.4
[M+NH4]+	138.03317	124.0
[M+K]+	158.96251	120.7
[M-H]-	118.99207	111.9
[M+Na-2H]-	140.97402	121.0
[M]+	119.99880	118.3
[M]-	119.99990	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe