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
5
Annotation Hits

0
References

253
Patents

228.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 148.6
[M+Na]+ 251.06786 156.7
[M-H]- 227.07136 154.6
[M+NH4]+ 246.11246 166.0
[M+K]+ 267.04180 153.6
[M+H-H2O]+ 211.07590 141.7
[M+HCOO]- 273.07684 171.4
[M+CH3COO]- 287.09249 187.2
[M+Na-2H]- 249.05331 153.7
[M]+ 228.07809 149.6
[M]- 228.07919 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