CID 8364

2-ethylhexyl salicylate

Structural Information

Molecular Formula

C₁₅H₂₂O₃

SMILES

CCCCC(CC)COC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3

InChIKey

FMRHJJZUHUTGKE-UHFFFAOYSA-N

Compound name

2-ethylhexyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 69
References: 37660
Patents: 250.15689 Da
Monoisotopic Mass: 5.7
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	160.8
[M+Na]+	273.146108	165.9
[M-H]-	249.149614	162.4
[M+NH4]+	268.190713	177.4
[M+K]+	289.120048	163.6
[M+H-H2O]+	233.154150	154.3
[M+HCOO]-	295.155091	180.8
[M+CH3COO]-	309.170741	194.1
[M+Na-2H]-	271.131556	162.1
[M]+	250.15634142	163.7
[M]-	250.15743858	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe