CID 66330

Allyl salicylate

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C=CCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C10H10O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6,11H,1,7H2

InChIKey

YYKBLDCLPBWOOE-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4254
Patents: 178.06299 Da
Monoisotopic Mass: 3.0
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]+	179.07027	137.2
[M+Na]+	201.05221	149.1
[M+NH4]+	196.09681	144.5
[M+K]+	217.02615	143.5
[M-H]-	177.05571	137.8
[M+Na-2H]-	199.03766	142.9
[M]+	178.06244	138.8
[M]-	178.06354	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe