CID 88191

Tridecyl salicylate

Structural Information

Molecular Formula

C₂₀H₃₂O₃

SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16,21H,2-11,14,17H2,1H3

InChIKey

VLMWBWYAHNRUGC-UHFFFAOYSA-N

Compound name

tridecyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1104
Patents: 320.23514 Da
Monoisotopic Mass: 9.5
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]+	321.242416	183.5
[M+Na]+	343.224358	186.6
[M-H]-	319.227864	183.9
[M+NH4]+	338.268963	197.2
[M+K]+	359.198298	182.6
[M+H-H2O]+	303.232400	175.8
[M+HCOO]-	365.233341	202.7
[M+CH3COO]-	379.248991	208.2
[M+Na-2H]-	341.209806	183.3
[M]+	320.23459142	188.8
[M]-	320.23568858	188.8

Literature stripe

literature stripe

Patent stripe

patents stripe