CID 102568744

3-hydroxy-3-phenylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CC(CC1C(=O)O)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H14O3/c13-11(14)9-6-7-12(15,8-9)10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H,13,14)
InChIKey
XYSFWCWXJQTOPP-UHFFFAOYSA-N
Compound name
3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 146.3
[M+Na]+ 229.08352 156.4
[M+NH4]+ 224.12812 155.4
[M+K]+ 245.05746 151.2
[M-H]- 205.08702 148.1
[M+Na-2H]- 227.06897 153.0
[M]+ 206.09375 148.1
[M]- 206.09485 148.1
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.