CID 61791966

1-cyano-n-cyclopropylmethanesulfonamide

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C1CC1NS(=O)(=O)CC#N
InChI
InChI=1S/C5H8N2O2S/c6-3-4-10(8,9)7-5-1-2-5/h5,7H,1-2,4H2
InChIKey
FQCUUKUCRYNZBT-UHFFFAOYSA-N
Compound name
1-cyano-N-cyclopropylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03065 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 132.5
[M+Na]+ 183.01987 147.4
[M-H]- 159.02337 139.4
[M+NH4]+ 178.06447 148.8
[M+K]+ 198.99381 142.7
[M+H-H2O]+ 143.02791 123.3
[M+HCOO]- 205.02885 150.3
[M+CH3COO]- 219.04450 190.9
[M+Na-2H]- 181.00532 139.4
[M]+ 160.03010 133.3
[M]- 160.03120 133.3
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.