CID 613589

14230-18-3

Structural Information

Molecular Formula
C15H18O6
SMILES
CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C15H18O6/c1-4-19-13(16)10-7-8-11(14(17)20-5-2)12(9-10)15(18)21-6-3/h7-9H,4-6H2,1-3H3
InChIKey
NGXQRWJDOKUJEN-UHFFFAOYSA-N
Compound name
triethyl benzene-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1022
Patents

294.11035 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11763 164.5
[M+Na]+ 317.09957 171.0
[M-H]- 293.10307 168.0
[M+NH4]+ 312.14417 179.9
[M+K]+ 333.07351 170.9
[M+H-H2O]+ 277.10761 157.7
[M+HCOO]- 339.10855 186.0
[M+CH3COO]- 353.12420 202.1
[M+Na-2H]- 315.08502 164.8
[M]+ 294.10980 171.9
[M]- 294.11090 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe