CID 12229420

5,6,7,8-tetrahydro-2-methylquinoline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1=NC2=C(CCCC2)C=C1

InChI

InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6-7H,2-5H2,1H3

InChIKey

AUSMPOZTRKHFPG-UHFFFAOYSA-N

Compound name

2-methyl-5,6,7,8-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 147.1048 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]+	148.112076	129.8
[M+Na]+	170.094018	137.1
[M-H]-	146.097524	132.6
[M+NH4]+	165.138623	151.0
[M+K]+	186.067958	134.5
[M+H-H2O]+	130.102060	123.3
[M+HCOO]-	192.103001	149.8
[M+CH3COO]-	206.118651	143.1
[M+Na-2H]-	168.079466	138.1
[M]+	147.10425142	126.8
[M]-	147.10534858	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe