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

19
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

No literature data available for this compound.

Patent stripe

patents stripe