CID 24711582

3-(cyclopentanesulfonyl)propanoic acid

Structural Information

Molecular Formula
C8H14O4S
SMILES
C1CCC(C1)S(=O)(=O)CCC(=O)O
InChI
InChI=1S/C8H14O4S/c9-8(10)5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKey
XBQHBAXTFGGWBU-UHFFFAOYSA-N
Compound name
3-cyclopentylsulfonylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06128 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06856 145.4
[M+Na]+ 229.05050 151.4
[M-H]- 205.05400 147.2
[M+NH4]+ 224.09510 165.5
[M+K]+ 245.02444 149.6
[M+H-H2O]+ 189.05854 140.8
[M+HCOO]- 251.05948 160.1
[M+CH3COO]- 265.07513 177.1
[M+Na-2H]- 227.03595 146.0
[M]+ 206.06073 145.8
[M]- 206.06183 145.8
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

No patent data available for this compound.