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]+ 162.05496 130.0
[M+Na]+ 184.03690 143.2
[M+NH4]+ 179.08150 138.6
[M+K]+ 200.01084 139.2
[M-H]- 160.04040 131.1
[M+Na-2H]- 182.02235 136.6
[M]+ 161.04713 132.1
[M]- 161.04823 132.1
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