CID 817009

7076-11-1

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1CCC2=C(C1)C3=C(N2)N=CC=C3

InChI

InChI=1S/C11H12N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h3,5,7H,1-2,4,6H2,(H,12,13)

InChIKey

XHIYUWFLVSLVBJ-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 172.10005 Da
Monoisotopic Mass: 2.5
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	135.5
[M+Na]+	195.08927	149.6
[M+NH4]+	190.13387	145.8
[M+K]+	211.06321	143.4
[M-H]-	171.09277	138.0
[M+Na-2H]-	193.07472	142.2
[M]+	172.09950	138.2
[M]-	172.10060	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe