CID 83482177

5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C(C=CC(=O)N2C1)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-8-4-3-6(9(12)13)7-2-1-5-10(7)8/h3-4H,1-2,5H2,(H,12,13)
InChIKey
CWEVPKZNWXMASF-UHFFFAOYSA-N
Compound name
5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 133.8
[M+Na]+ 202.04746 143.1
[M-H]- 178.05096 136.2
[M+NH4]+ 197.09206 154.9
[M+K]+ 218.02140 140.7
[M+H-H2O]+ 162.05550 128.3
[M+HCOO]- 224.05644 154.8
[M+CH3COO]- 238.07209 176.7
[M+Na-2H]- 200.03291 138.8
[M]+ 179.05769 133.6
[M]- 179.05879 133.6
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.