CID 263172

Vinyl salicylate

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

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

InChI

InChI=1S/C9H8O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6,10H,1H2

InChIKey

CMXXMZYAYIHTBU-UHFFFAOYSA-N

Compound name

ethenyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3368
Patents: 164.04735 Da
Monoisotopic Mass: 2.8
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]+	165.05463	131.1
[M+Na]+	187.03657	139.3
[M-H]-	163.04007	133.8
[M+NH4]+	182.08117	151.2
[M+K]+	203.01051	137.4
[M+H-H2O]+	147.04461	125.8
[M+HCOO]-	209.04555	154.3
[M+CH3COO]-	223.06120	174.3
[M+Na-2H]-	185.02202	137.0
[M]+	164.04680	131.7
[M]-	164.04790	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe