CID 23616336

Acetyl glycol salicylate

Structural Information

Molecular Formula

C₁₁H₁₂O₅

SMILES

CC(=O)OCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C11H12O5/c1-8(12)15-6-7-16-11(14)9-4-2-3-5-10(9)13/h2-5,13H,6-7H2,1H3

InChIKey

MOWWOOBXTGKYPJ-UHFFFAOYSA-N

Compound name

2-acetyloxyethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 224.06847 Da
Monoisotopic Mass: 2.5
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]+	225.075746	146.4
[M+Na]+	247.057688	153.4
[M-H]-	223.061194	148.8
[M+NH4]+	242.102293	163.9
[M+K]+	263.031628	152.7
[M+H-H2O]+	207.065730	140.3
[M+HCOO]-	269.066671	168.4
[M+CH3COO]-	283.082321	184.8
[M+Na-2H]-	245.043136	150.0
[M]+	224.06792142	150.0
[M]-	224.06901858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe