CID 69091

P-tolyl salicylate

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3

InChIKey

AMYKXJAXRJCLCV-UHFFFAOYSA-N

Compound name

(4-methylphenyl) 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 324
Patents: 228.07864 Da
Monoisotopic Mass: 4.1
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]+	229.085916	148.6
[M+Na]+	251.067858	156.7
[M-H]-	227.071364	154.6
[M+NH4]+	246.112463	166.0
[M+K]+	267.041798	153.6
[M+H-H2O]+	211.075900	141.7
[M+HCOO]-	273.076841	171.4
[M+CH3COO]-	287.092491	187.2
[M+Na-2H]-	249.053306	153.7
[M]+	228.07809142	149.6
[M]-	228.07918858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe