CID 506061

4-(1-hydroxyethyl)benzoic acid

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3,(H,11,12)

InChIKey

UBXQIJLWYJGCCO-UHFFFAOYSA-N

Compound name

4-(1-hydroxyethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 169
Patents: 166.06299 Da
Monoisotopic Mass: 1.4
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]+	167.07027	133.8
[M+Na]+	189.05221	145.1
[M+NH4]+	184.09681	141.2
[M+K]+	205.02615	140.9
[M-H]-	165.05571	134.1
[M+Na-2H]-	187.03766	139.0
[M]+	166.06244	135.3
[M]-	166.06354	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe