CID 61159

O-tolyl salicylate

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3
InChIKey
KITKATPLNVHGFC-UHFFFAOYSA-N
Compound name
(2-methylphenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

239
Patents

228.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe