CID 74926

2055-00-7

Structural Information

Molecular Formula

C₂₀H₁₈O₈

SMILES

COC(=O)C1=CC=CC=C1C(=O)OCCOC(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H18O8/c1-25-17(21)13-7-3-5-9-15(13)19(23)27-11-12-28-20(24)16-10-6-4-8-14(16)18(22)26-2/h3-10H,11-12H2,1-2H3

InChIKey

VMTRIKRTABFUOS-UHFFFAOYSA-N

Compound name

2-O-[2-(2-methoxycarbonylbenzoyl)oxyethyl] 1-O-methyl benzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 386.10016 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]+	387.107436	185.5
[M+Na]+	409.089378	190.4
[M-H]-	385.092884	191.8
[M+NH4]+	404.133983	196.0
[M+K]+	425.063318	190.4
[M+H-H2O]+	369.097420	176.4
[M+HCOO]-	431.098361	206.1
[M+CH3COO]-	445.114011	216.7
[M+Na-2H]-	407.074826	184.9
[M]+	386.09961142	193.2
[M]-	386.10070858	193.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe