CID 21889814

1-methylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CC1(CC1)S(=O)(=O)N
InChI
InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
InChIKey
ATJVVVCODTXRAE-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

972
Patents

135.0354 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 122.6
[M+Na]+ 158.024618 132.7
[M-H]- 134.028124 127.3
[M+NH4]+ 153.069223 141.3
[M+K]+ 173.998558 131.0
[M+H-H2O]+ 118.032660 118.6
[M+HCOO]- 180.033601 141.2
[M+CH3COO]- 194.049251 173.4
[M+Na-2H]- 156.010066 129.1
[M]+ 135.03485142 126.0
[M]- 135.03594858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe