CID 15357568

1-(acetyloxy)ethyl benzoate

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

CC(OC(=O)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H12O4/c1-8(12)14-9(2)15-11(13)10-6-4-3-5-7-10/h3-7,9H,1-2H3

InChIKey

WZGUBXUFLUSBPY-UHFFFAOYSA-N

Compound name

1-acetyloxyethyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 208.07356 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]+	209.08084	144.2
[M+Na]+	231.06278	155.0
[M+NH4]+	226.10738	151.0
[M+K]+	247.03672	150.9
[M-H]-	207.06628	144.4
[M+Na-2H]-	229.04823	149.4
[M]+	208.07301	145.5
[M]-	208.07411	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe