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

26
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 139.2
[M+Na]+ 187.00355 149.2
[M+NH4]+ 182.04815 147.7
[M+K]+ 202.97749 144.3
[M-H]- 163.00705 144.4
[M+Na-2H]- 184.98900 145.6
[M]+ 164.01378 143.6
[M]- 164.01488 143.6
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