CID 14788255

Indolizine-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=CC=C(N2C=C1)C(=O)O
InChI
InChI=1S/C9H7NO2/c11-9(12)8-5-4-7-3-1-2-6-10(7)8/h1-6H,(H,11,12)
InChIKey
LKLKDFKQBJWONS-UHFFFAOYSA-N
Compound name
indolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

literature stripe

Patent stripe

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