CID 3330232

N-(cyanomethyl)methanesulfonamide

Structural Information

Molecular Formula

C₃H₆N₂O₂S

SMILES

CS(=O)(=O)NCC#N

InChI

InChI=1S/C3H6N2O2S/c1-8(6,7)5-3-2-4/h5H,3H2,1H3

InChIKey

WKFRGUWSNCMHOJ-UHFFFAOYSA-N

Compound name

N-(cyanomethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 134.015 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]+	135.02228	124.0
[M+Na]+	157.00422	132.3
[M+NH4]+	152.04882	127.9
[M+K]+	172.97816	124.2
[M-H]-	133.00772	115.8
[M+Na-2H]-	154.98967	125.0
[M]+	134.01445	122.2
[M]-	134.01555	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe