CID 2778009

328288-90-0

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCC(CC1=CC(=CC=C1)O)C(=O)O

InChI

InChI=1S/C11H14O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9,12H,2,6H2,1H3,(H,13,14)

InChIKey

APDIHWXZDGCAGL-UHFFFAOYSA-N

Compound name

2-[(3-hydroxyphenyl)methyl]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 194.0943 Da
Monoisotopic Mass: 2.3
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]+	195.10158	142.8
[M+Na]+	217.08352	153.6
[M+NH4]+	212.12812	149.8
[M+K]+	233.05746	149.0
[M-H]-	193.08702	143.0
[M+Na-2H]-	215.06897	147.4
[M]+	194.09375	144.2
[M]-	194.09485	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe