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

36
Patents

134.015 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.022276 129.4
[M+Na]+ 157.004218 139.3
[M-H]- 133.007724 131.3
[M+NH4]+ 152.048823 149.3
[M+K]+ 172.978158 139.3
[M+H-H2O]+ 117.012260 118.4
[M+HCOO]- 179.013201 145.5
[M+CH3COO]- 193.028851 183.9
[M+Na-2H]- 154.989666 134.7
[M]+ 134.01445142 126.5
[M]- 134.01554858 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