CID 90352796

6,6-dimethyl-5,6,7,8-tetrahydroquinolin-5-one hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c1-11(2)6-5-9-8(10(11)13)4-3-7-12-9/h3-4,7H,5-6H2,1-2H3

InChIKey

QGJSKZRBNAABTG-UHFFFAOYSA-N

Compound name

6,6-dimethyl-7,8-dihydroquinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 175.09972 Da
Monoisotopic Mass: 1.9
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]+	176.106996	136.1
[M+Na]+	198.088938	145.3
[M-H]-	174.092444	139.6
[M+NH4]+	193.133543	158.5
[M+K]+	214.062878	142.6
[M+H-H2O]+	158.096980	130.0
[M+HCOO]-	220.097921	156.2
[M+CH3COO]-	234.113571	181.0
[M+Na-2H]-	196.074386	144.3
[M]+	175.09917142	135.0
[M]-	175.10026858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe