CID 62624

Octyl salicylate

Structural Information

Molecular Formula

C₁₅H₂₂O₃

SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3

InChIKey

WCJLCOAEJIHPCW-UHFFFAOYSA-N

Compound name

octyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 27894
Patents: 250.15689 Da
Monoisotopic Mass: 6.8
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]+	251.164166	160.6
[M+Na]+	273.146108	165.9
[M-H]-	249.149614	162.1
[M+NH4]+	268.190713	177.2
[M+K]+	289.120048	163.1
[M+H-H2O]+	233.154150	153.9
[M+HCOO]-	295.155091	181.5
[M+CH3COO]-	309.170741	193.3
[M+Na-2H]-	271.131556	163.1
[M]+	250.15634142	164.1
[M]-	250.15743858	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe