CID 4175192

60247-73-6

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CC1=CC2=C(CC(CC2=O)(C)C)N=C1

InChI

InChI=1S/C12H15NO/c1-8-4-9-10(13-7-8)5-12(2,3)6-11(9)14/h4,7H,5-6H2,1-3H3

InChIKey

NFEXTMYHUODAGU-UHFFFAOYSA-N

Compound name

3,7,7-trimethyl-6,8-dihydroquinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 189.11537 Da
Monoisotopic Mass: 2.2
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]+	190.12265	139.9
[M+Na]+	212.10459	149.6
[M-H]-	188.10809	143.6
[M+NH4]+	207.14919	162.0
[M+K]+	228.07853	146.7
[M+H-H2O]+	172.11263	134.0
[M+HCOO]-	234.11357	159.7
[M+CH3COO]-	248.12922	185.2
[M+Na-2H]-	210.09004	146.9
[M]+	189.11482	139.6
[M]-	189.11592	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe