CID 4162737

2h-quinolizine-1,2,3-tricarboxylic acid trimethyl ester

Structural Information

Molecular Formula
C15H15NO6
SMILES
COC(=O)C1C(=CN2C=CC=CC2=C1C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H15NO6/c1-20-13(17)9-8-16-7-5-4-6-10(16)12(15(19)22-3)11(9)14(18)21-2/h4-8,11H,1-3H3
InChIKey
KYMUWNNRQJYFNG-UHFFFAOYSA-N
Compound name
trimethyl 2H-quinolizine-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09722 165.8
[M+Na]+ 328.07916 176.7
[M+NH4]+ 323.12376 170.8
[M+K]+ 344.05310 173.2
[M-H]- 304.08266 164.9
[M+Na-2H]- 326.06461 168.5
[M]+ 305.08939 166.7
[M]- 305.09049 166.7
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.