CID 54691180

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

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1CC2=C(C(=CC(=O)N2C1)O)C(=O)O
InChI
InChI=1S/C9H9NO4/c11-6-4-7(12)10-3-1-2-5(10)8(6)9(13)14/h4,11H,1-3H2,(H,13,14)
InChIKey
UXOJMCVODLJGCP-UHFFFAOYSA-N
Compound name
7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.05316 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 136.8
[M+Na]+ 218.04238 146.4
[M-H]- 194.04588 138.2
[M+NH4]+ 213.08698 156.7
[M+K]+ 234.01632 143.7
[M+H-H2O]+ 178.05042 131.7
[M+HCOO]- 240.05136 156.4
[M+CH3COO]- 254.06701 177.7
[M+Na-2H]- 216.02783 140.7
[M]+ 195.05261 136.6
[M]- 195.05371 136.6
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

patents stripe