CID 10394

3-(4-hydroxyphenyl)propionic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1=CC(=CC=C1CCC(=O)O)O

InChI

InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)

InChIKey

NMHMNPHRMNGLLB-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 115
References: 45740
Patents: 166.06299 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.070266	133.1
[M+Na]+	189.052208	140.5
[M-H]-	165.055714	134.3
[M+NH4]+	184.096813	152.3
[M+K]+	205.026148	138.3
[M+H-H2O]+	149.060250	127.9
[M+HCOO]-	211.061191	154.5
[M+CH3COO]-	225.076841	173.3
[M+Na-2H]-	187.037656	138.4
[M]+	166.06244142	132.6
[M]-	166.06353858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe