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 164.6
[M+Na]+ 328.07916 172.1
[M-H]- 304.08266 167.9
[M+NH4]+ 323.12376 179.2
[M+K]+ 344.05310 171.6
[M+H-H2O]+ 288.08720 157.1
[M+HCOO]- 350.08814 183.0
[M+CH3COO]- 364.10379 204.2
[M+Na-2H]- 326.06461 166.8
[M]+ 305.08939 170.2
[M]- 305.09049 170.2
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.