CID 13618740

Benzoic acid 3-hydroxybenzyl ester

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)O

InChI

InChI=1S/C14H12O3/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9,15H,10H2

InChIKey

RNXDSUVYRWSRJD-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl)methyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.07864 Da
Monoisotopic Mass: 3.6
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]+	229.08592	149.2
[M+Na]+	251.06786	156.2
[M-H]-	227.07136	154.7
[M+NH4]+	246.11246	166.2
[M+K]+	267.04180	153.0
[M+H-H2O]+	211.07590	142.0
[M+HCOO]-	273.07684	171.9
[M+CH3COO]-	287.09249	186.1
[M+Na-2H]-	249.05331	154.9
[M]+	228.07809	149.6
[M]-	228.07919	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.