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

40
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 129.2
[M+Na]+ 184.03690 139.5
[M-H]- 160.04040 132.0
[M+NH4]+ 179.08150 151.0
[M+K]+ 200.01084 136.7
[M+H-H2O]+ 144.04494 123.5
[M+HCOO]- 206.04588 152.8
[M+CH3COO]- 220.06153 173.6
[M+Na-2H]- 182.02235 136.8
[M]+ 161.04713 130.7
[M]- 161.04823 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

literature stripe

Patent stripe

patents stripe