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

20
Patents

179.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 135.2
[M+Na]+ 202.04746 143.4
[M-H]- 178.05096 137.1
[M+NH4]+ 197.09206 156.0
[M+K]+ 218.02140 141.2
[M+H-H2O]+ 162.05550 129.6
[M+HCOO]- 224.05644 154.7
[M+CH3COO]- 238.07209 177.0
[M+Na-2H]- 200.03291 139.1
[M]+ 179.05769 133.4
[M]- 179.05879 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