CID 70582373

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

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1(CCC2=C(C1)C=CC=N2)C

InChI

InChI=1S/C11H15N/c1-11(2)6-5-10-9(8-11)4-3-7-12-10/h3-4,7H,5-6,8H2,1-2H3

InChIKey

BJDZUYHKCJMYFB-UHFFFAOYSA-N

Compound name

6,6-dimethyl-7,8-dihydro-5H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 161.12045 Da
Monoisotopic Mass: 2.7
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	134.7
[M+Na]+	184.109668	142.6
[M-H]-	160.113174	137.7
[M+NH4]+	179.154273	157.4
[M+K]+	200.083608	140.0
[M+H-H2O]+	144.117710	128.4
[M+HCOO]-	206.118651	154.4
[M+CH3COO]-	220.134301	148.0
[M+Na-2H]-	182.095116	143.4
[M]+	161.11990142	132.3
[M]-	161.12099858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe