CID 65046974

1494742-12-9

Structural Information

Molecular Formula
C7H12O4S
SMILES
CS(=O)(=O)C1CCCC1C(=O)O
InChI
InChI=1S/C7H12O4S/c1-12(10,11)6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
PDCUOZZSUQYXMI-UHFFFAOYSA-N
Compound name
2-methylsulfonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04562 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05290 141.4
[M+Na]+ 215.03484 148.5
[M+NH4]+ 210.07944 147.9
[M+K]+ 231.00878 145.8
[M-H]- 191.03834 139.5
[M+Na-2H]- 213.02029 142.4
[M]+ 192.04507 141.9
[M]- 192.04617 141.9
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.