CID 273165

Nsc118162

Structural Information

Molecular Formula
C12H9NO5
SMILES
COC(=O)C1=C2C=CC=CN2C(=O)C(=C1)C(=O)O
InChI
InChI=1S/C12H9NO5/c1-18-12(17)7-6-8(11(15)16)10(14)13-5-3-2-4-9(7)13/h2-6H,1H3,(H,15,16)
InChIKey
VNMRQMFGVGWNAB-UHFFFAOYSA-N
Compound name
1-methoxycarbonyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04807 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05535 147.9
[M+Na]+ 270.03729 157.7
[M-H]- 246.04079 150.7
[M+NH4]+ 265.08189 164.4
[M+K]+ 286.01123 155.5
[M+H-H2O]+ 230.04533 141.2
[M+HCOO]- 292.04627 168.1
[M+CH3COO]- 306.06192 190.7
[M+Na-2H]- 268.02274 153.2
[M]+ 247.04752 151.3
[M]- 247.04862 151.3
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.