CID 97949

3-(4-hydroxyphenyl)-2-phenylpropanoic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14,16H,10H2,(H,17,18)
InChIKey
GRCCNKUXWQWOKS-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

242.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.9
[M+Na]+ 265.08352 167.9
[M+NH4]+ 260.12812 162.5
[M+K]+ 281.05746 161.8
[M-H]- 241.08702 157.9
[M+Na-2H]- 263.06897 162.8
[M]+ 242.09375 157.5
[M]- 242.09485 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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