CID 5112945

N-cyclopropylmethanesulfonamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CS(=O)(=O)NC1CC1
InChI
InChI=1S/C4H9NO2S/c1-8(6,7)5-4-2-3-4/h4-5H,2-3H2,1H3
InChIKey
POEOXZQLWUIFQW-UHFFFAOYSA-N
Compound name
N-cyclopropylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

135.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 122.7
[M+Na]+ 158.024618 132.3
[M-H]- 134.028124 127.7
[M+NH4]+ 153.069223 139.8
[M+K]+ 173.998558 130.0
[M+H-H2O]+ 118.032660 117.1
[M+HCOO]- 180.033601 142.3
[M+CH3COO]- 194.049251 174.5
[M+Na-2H]- 156.010066 128.7
[M]+ 135.03485142 126.5
[M]- 135.03594858 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