CID 5321849

5,6,7,8-tetrahydro-2,4-dimethylquinoline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC(=NC2=C1CCCC2)C

InChI

InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3

InChIKey

ZBIKAJHAGKBFKR-UHFFFAOYSA-N

Compound name

2,4-dimethyl-5,6,7,8-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 161.12045 Da
Monoisotopic Mass: 2.8
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]+	162.127726	134.3
[M+Na]+	184.109668	142.2
[M-H]-	160.113174	137.3
[M+NH4]+	179.154273	155.2
[M+K]+	200.083608	139.3
[M+H-H2O]+	144.117710	127.8
[M+HCOO]-	206.118651	153.9
[M+CH3COO]-	220.134301	180.4
[M+Na-2H]-	182.095116	141.3
[M]+	161.11990142	132.0
[M]-	161.12099858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe