CID 424100

Quinoline, 1,2,3,4-tetrahydro-1,6-dimethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC2=C(C=C1)N(CCC2)C

InChI

InChI=1S/C11H15N/c1-9-5-6-11-10(8-9)4-3-7-12(11)2/h5-6,8H,3-4,7H2,1-2H3

InChIKey

WAZXHRCWXXLJTD-UHFFFAOYSA-N

Compound name

1,6-dimethyl-3,4-dihydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 220
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