CID 75450915

(1-cyanocyclopropyl)methanesulfonamide

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C1CC1(CS(=O)(=O)N)C#N
InChI
InChI=1S/C5H8N2O2S/c6-3-5(1-2-5)4-10(7,8)9/h1-2,4H2,(H2,7,8,9)
InChIKey
PYZWTDCICGGQIN-UHFFFAOYSA-N
Compound name
(1-cyanocyclopropyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03065 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 133.9
[M+Na]+ 183.01987 149.4
[M-H]- 159.02337 140.6
[M+NH4]+ 178.06447 151.6
[M+K]+ 198.99381 144.8
[M+H-H2O]+ 143.02791 126.0
[M+HCOO]- 205.02885 150.7
[M+CH3COO]- 219.04450 189.9
[M+Na-2H]- 181.00532 141.0
[M]+ 160.03010 134.3
[M]- 160.03120 134.3
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

No patent data available for this compound.