CID 16299

Amyl salicylate

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCCCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3

InChIKey

RANVDUNFZBMTBK-UHFFFAOYSA-N

Compound name

pentyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 47
References: 8470
Patents: 208.10994 Da
Monoisotopic Mass: 5.2
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]+	209.11722	146.9
[M+Na]+	231.09916	158.4
[M+NH4]+	226.14376	154.2
[M+K]+	247.07310	152.4
[M-H]-	207.10266	147.8
[M+Na-2H]-	229.08461	152.2
[M]+	208.10939	148.6
[M]-	208.11049	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe