CID 69443

634-20-8

Structural Information

Molecular Formula

C₁₃H₁₄O₆

SMILES

CC(=O)OC1=CC=CC=C1C(OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H14O6/c1-8(14)17-12-7-5-4-6-11(12)13(18-9(2)15)19-10(3)16/h4-7,13H,1-3H3

InChIKey

DURAGTHQRQBUTE-UHFFFAOYSA-N

Compound name

[2-(diacetyloxymethyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 266.07904 Da
Monoisotopic Mass: 1.4
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]+	267.08632	155.7
[M+Na]+	289.06826	162.0
[M-H]-	265.07176	159.4
[M+NH4]+	284.11286	172.0
[M+K]+	305.04220	162.9
[M+H-H2O]+	249.07630	149.2
[M+HCOO]-	311.07724	177.0
[M+CH3COO]-	325.09289	195.8
[M+Na-2H]-	287.05371	156.6
[M]+	266.07849	161.4
[M]-	266.07959	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe