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]+ 212.070596 143.5
[M+Na]+ 234.052538 153.2
[M-H]- 210.056044 146.9
[M+NH4]+ 229.097143 164.2
[M+K]+ 250.026478 148.9
[M+H-H2O]+ 194.060580 137.2
[M+HCOO]- 256.061521 164.0
[M+CH3COO]- 270.077171 156.7
[M+Na-2H]- 232.037986 150.1
[M]+ 211.06277142 144.1
[M]- 211.06386858 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.