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

33
Patents

134.015 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02228 129.4
[M+Na]+ 157.00422 139.3
[M-H]- 133.00772 131.3
[M+NH4]+ 152.04882 149.3
[M+K]+ 172.97816 139.3
[M+H-H2O]+ 117.01226 118.4
[M+HCOO]- 179.01320 145.5
[M+CH3COO]- 193.02885 183.9
[M+Na-2H]- 154.98967 134.7
[M]+ 134.01445 126.5
[M]- 134.01555 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe