CID 16330

Butyl salicylate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3

InChIKey

YFDUWSBGVPBWKF-UHFFFAOYSA-N

Compound name

butyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 4074
Patents: 194.0943 Da
Monoisotopic Mass: 4.6
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]+	195.10158	141.9
[M+Na]+	217.08352	149.0
[M-H]-	193.08702	144.2
[M+NH4]+	212.12812	160.9
[M+K]+	233.05746	147.2
[M+H-H2O]+	177.09156	136.2
[M+HCOO]-	239.09250	164.3
[M+CH3COO]-	253.10815	181.2
[M+Na-2H]-	215.06897	146.7
[M]+	194.09375	144.0
[M]-	194.09485	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe