CID 83679019

Indolizine-5-carboxylic acid

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=CC=CN2C(=C1)C(=O)O
InChI
InChI=1S/C9H7NO2/c11-9(12)8-5-1-3-7-4-2-6-10(7)8/h1-6H,(H,11,12)
InChIKey
FSRPQLCQHIAMTO-UHFFFAOYSA-N
Compound name
indolizine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

161.04768 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 129.2
[M+Na]+ 184.036898 139.5
[M-H]- 160.040404 132.0
[M+NH4]+ 179.081503 151.0
[M+K]+ 200.010838 136.7
[M+H-H2O]+ 144.044940 123.5
[M+HCOO]- 206.045881 152.8
[M+CH3COO]- 220.061531 173.6
[M+Na-2H]- 182.022346 136.8
[M]+ 161.04713142 130.7
[M]- 161.04822858 130.7
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