CID 68859160

1-cyanocyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
C1CC1(C#N)S(=O)(=O)N
InChI
InChI=1S/C4H6N2O2S/c5-3-4(1-2-4)9(6,7)8/h1-2H2,(H2,6,7,8)
InChIKey
FEVQHSPHSYONQD-UHFFFAOYSA-N
Compound name
1-cyanocyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

146.015 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02228 130.4
[M+Na]+ 169.00422 146.3
[M-H]- 145.00772 137.3
[M+NH4]+ 164.04882 148.7
[M+K]+ 184.97816 141.9
[M+H-H2O]+ 129.01226 122.7
[M+HCOO]- 191.01320 147.6
[M+CH3COO]- 205.02885 187.3
[M+Na-2H]- 166.98967 138.0
[M]+ 146.01445 130.6
[M]- 146.01555 130.6
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