CID 361129

20806-94-4

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1C(N=CC2=C1C3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C12H10N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,6,10,14H,5H2,(H,15,16)

InChIKey

WTIULJWJWHZPQJ-UHFFFAOYSA-N

Compound name

4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 214.07423 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.08151	144.8
[M+Na]+	237.06345	158.1
[M+NH4]+	232.10805	153.0
[M+K]+	253.03739	153.8
[M-H]-	213.06695	145.5
[M+Na-2H]-	235.04890	149.9
[M]+	214.07368	146.7
[M]-	214.07478	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe