CID 129989267

1532631-13-2

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)O
InChI
InChI=1S/C13H9NO2/c15-13(16)12-6-11-9(7-14-12)5-8-3-1-2-4-10(8)11/h1-4,6-7H,5H2,(H,15,16)
InChIKey
LCCCMEZUKAZPRD-UHFFFAOYSA-N
Compound name
9H-indeno[2,1-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 143.5
[M+Na]+ 234.05254 153.2
[M-H]- 210.05604 146.9
[M+NH4]+ 229.09714 164.2
[M+K]+ 250.02648 148.9
[M+H-H2O]+ 194.06058 137.2
[M+HCOO]- 256.06152 164.0
[M+CH3COO]- 270.07717 156.7
[M+Na-2H]- 232.03799 150.1
[M]+ 211.06277 144.1
[M]- 211.06387 144.1
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

No patent data available for this compound.