CID 17766865

1909348-16-8

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC(C1=CC=CC=C1C(=O)O)O

InChI

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

InChIKey

GPBOXVCIWMHAJH-UHFFFAOYSA-N

Compound name

2-(1-hydroxyethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 47
Patents: 166.06299 Da
Monoisotopic Mass: 1.6
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	133.2
[M+Na]+	189.052208	140.3
[M-H]-	165.055714	134.5
[M+NH4]+	184.096813	152.3
[M+K]+	205.026148	138.6
[M+H-H2O]+	149.060250	128.1
[M+HCOO]-	211.061191	153.6
[M+CH3COO]-	225.076841	174.2
[M+Na-2H]-	187.037656	137.2
[M]+	166.06244142	132.0
[M]-	166.06353858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe