CID 55269906

8-oxo-5,6,7,8-tetrahydroindolizine-5-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC(=O)C2=CC=CN2C1C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-4-3-7(9(12)13)10-5-1-2-6(8)10/h1-2,5,7H,3-4H2,(H,12,13)
InChIKey
CCLDOPDLVDQINO-UHFFFAOYSA-N
Compound name
8-oxo-6,7-dihydro-5H-indolizine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 135.2
[M+Na]+ 202.047458 143.4
[M-H]- 178.050964 137.1
[M+NH4]+ 197.092063 156.0
[M+K]+ 218.021398 141.2
[M+H-H2O]+ 162.055500 129.6
[M+HCOO]- 224.056441 154.7
[M+CH3COO]- 238.072091 177.0
[M+Na-2H]- 200.032906 139.1
[M]+ 179.05769142 133.4
[M]- 179.05878858 133.4
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

patents stripe