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

1
Patents

386.10016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.5
[M+Na]+ 409.08938 190.4
[M-H]- 385.09288 191.8
[M+NH4]+ 404.13398 196.0
[M+K]+ 425.06332 190.4
[M+H-H2O]+ 369.09742 176.4
[M+HCOO]- 431.09836 206.1
[M+CH3COO]- 445.11401 216.7
[M+Na-2H]- 407.07483 184.9
[M]+ 386.09961 193.2
[M]- 386.10071 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe