CID 89729

22483-52-9

Structural Information

Molecular Formula
C14H14O8
SMILES
CCOC(=O)OC(=O)C1=CC(=CC=C1)C(=O)OC(=O)OCC
InChI
InChI=1S/C14H14O8/c1-3-19-13(17)21-11(15)9-6-5-7-10(8-9)12(16)22-14(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKey
SXIBCLRNZISNIZ-UHFFFAOYSA-N
Compound name
bis(ethoxycarbonyl) benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06888 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07616 164.2
[M+Na]+ 333.05810 170.2
[M-H]- 309.06160 167.7
[M+NH4]+ 328.10270 178.5
[M+K]+ 349.03204 171.6
[M+H-H2O]+ 293.06614 157.1
[M+HCOO]- 355.06708 185.7
[M+CH3COO]- 369.08273 200.4
[M+Na-2H]- 331.04355 164.9
[M]+ 310.06833 172.2
[M]- 310.06943 172.2
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

No patent data available for this compound.