CID 87371

17952-82-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1CNC(=O)C2=C1C3=CC=CC=C3N2

InChI

InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)

InChIKey

FZHZQHNKCPJTNQ-UHFFFAOYSA-N

Compound name

2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 86
Patents: 186.07932 Da
Monoisotopic Mass: 1.7
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]+	187.086596	137.6
[M+Na]+	209.068538	147.3
[M-H]-	185.072044	138.0
[M+NH4]+	204.113143	157.4
[M+K]+	225.042478	141.5
[M+H-H2O]+	169.076580	131.0
[M+HCOO]-	231.077521	155.4
[M+CH3COO]-	245.093171	150.0
[M+Na-2H]-	207.053986	144.9
[M]+	186.07877142	134.1
[M]-	186.07986858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe