CID 61695694

1-cyanoethane-1-sulfonamide

Structural Information

Molecular Formula
C3H6N2O2S
SMILES
CC(C#N)S(=O)(=O)N
InChI
InChI=1S/C3H6N2O2S/c1-3(2-4)8(5,6)7/h3H,1H3,(H2,5,6,7)
InChIKey
UUVAMAVZNZLSMI-UHFFFAOYSA-N
Compound name
1-cyanoethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 131.1
[M+Na]+ 157.00422 140.7
[M-H]- 133.00772 132.6
[M+NH4]+ 152.04882 150.8
[M+K]+ 172.97816 140.9
[M+H-H2O]+ 117.01226 120.1
[M+HCOO]- 179.01320 145.7
[M+CH3COO]- 193.02885 184.0
[M+Na-2H]- 154.98967 134.3
[M]+ 134.01445 126.7
[M]- 134.01555 126.7
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