CID 34656

2-(4-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCC(C1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C10H12O3/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9,11H,2H2,1H3,(H,12,13)

InChIKey

GEQWCUVIQMRCAZ-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 308
Patents: 180.07864 Da
Monoisotopic Mass: 2.0
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]+	181.08592	138.3
[M+Na]+	203.06786	149.4
[M+NH4]+	198.11246	145.5
[M+K]+	219.04180	145.0
[M-H]-	179.07136	138.5
[M+Na-2H]-	201.05331	143.2
[M]+	180.07809	139.7
[M]-	180.07919	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe