CID 47002816

2-hydroxy-5-(2-phenylethyl)benzoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)CCC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,6-7H2,(H,17,18)
InChIKey
FDPUNEHVECXKLV-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(2-phenylethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.8
[M+Na]+ 265.08352 168.5
[M+NH4]+ 260.12812 162.5
[M+K]+ 281.05746 161.8
[M-H]- 241.08702 158.0
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.6
[M]- 242.09485 157.6
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

No patent data available for this compound.