CID 19615

17223-45-9

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂

SMILES

CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3

InChIKey

KFCWIHUDWIRLEE-UHFFFAOYSA-N

Compound name

8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 88
Patents: 220.07672 Da
Monoisotopic Mass: 2.6
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]+	221.08400	147.3
[M+Na]+	243.06594	158.4
[M-H]-	219.06944	148.8
[M+NH4]+	238.11054	167.6
[M+K]+	259.03988	151.5
[M+H-H2O]+	203.07398	140.7
[M+HCOO]-	265.07492	161.0
[M+CH3COO]-	279.09057	159.7
[M+Na-2H]-	241.05139	152.9
[M]+	220.07617	147.4
[M]-	220.07727	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe