CID 98285

6052-68-2

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)

InChIKey

FSNCEEGOMTYXKY-UHFFFAOYSA-N

Compound name

2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 40
References: 5439
Patents: 216.08987 Da
Monoisotopic Mass: -1.2
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]+	217.09715	145.8
[M+Na]+	239.07909	154.1
[M-H]-	215.08259	144.8
[M+NH4]+	234.12369	163.5
[M+K]+	255.05303	148.3
[M+H-H2O]+	199.08713	139.3
[M+HCOO]-	261.08807	160.8
[M+CH3COO]-	275.10372	156.7
[M+Na-2H]-	237.06454	151.0
[M]+	216.08932	141.6
[M]-	216.09042	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe