CID 904970

19685-84-8

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂

SMILES

C1CNCC2=C1NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2

InChIKey

LCKUBQBEDRQTRC-UHFFFAOYSA-N

Compound name

8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 59
Patents: 206.06108 Da
Monoisotopic Mass: 2.1
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]+	207.06836	142.1
[M+Na]+	229.05030	152.4
[M-H]-	205.05380	142.1
[M+NH4]+	224.09490	162.1
[M+K]+	245.02424	145.0
[M+H-H2O]+	189.05834	135.9
[M+HCOO]-	251.05928	154.8
[M+CH3COO]-	265.07493	154.1
[M+Na-2H]-	227.03575	148.7
[M]+	206.06053	139.8
[M]-	206.06163	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe