CID 12446853

56911-50-3

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

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

InChIKey

BYRVXROVZBYNOZ-UHFFFAOYSA-N

Compound name

2-(3-hydroxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 431
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	133.2
[M+Na]+	189.05221	140.3
[M-H]-	165.05571	134.5
[M+NH4]+	184.09681	152.3
[M+K]+	205.02615	138.6
[M+H-H2O]+	149.06025	128.1
[M+HCOO]-	211.06119	153.6
[M+CH3COO]-	225.07684	174.2
[M+Na-2H]-	187.03766	137.2
[M]+	166.06244	132.0
[M]-	166.06354	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe