CID 107838

16502-01-5

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CNCC2=C1C3=CC=CC=C3N2

InChI

InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2

InChIKey

CFTOTSJVQRFXOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 269
References: 3668
Patents: 172.10005 Da
Monoisotopic Mass: 1.5
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]+	173.10733	135.8
[M+Na]+	195.08927	149.3
[M+NH4]+	190.13387	145.7
[M+K]+	211.06321	143.5
[M-H]-	171.09277	137.8
[M+Na-2H]-	193.07472	141.9
[M]+	172.09950	138.2
[M]-	172.10060	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe