CID 62474537

1-methanesulfonylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H8O4S
SMILES
CS(=O)(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C5H8O4S/c1-10(8,9)5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
SSESRMFTJIQDNB-UHFFFAOYSA-N
Compound name
1-methylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

164.01433 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02161 129.4
[M+Na]+ 187.00355 139.3
[M-H]- 163.00705 133.2
[M+NH4]+ 182.04815 146.6
[M+K]+ 202.97749 137.6
[M+H-H2O]+ 147.01159 125.8
[M+HCOO]- 209.01253 145.5
[M+CH3COO]- 223.02818 173.7
[M+Na-2H]- 184.98900 134.9
[M]+ 164.01378 134.8
[M]- 164.01488 134.8
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