CID 3052514

68925-88-2

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CCCC(C)C(=O)N1CCCC2=CC=CC=C21

InChI

InChI=1S/C15H21NO/c1-3-7-12(2)15(17)16-11-6-9-13-8-4-5-10-14(13)16/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3

InChIKey

XCSNHDQPYFGISL-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 231.16231 Da
Monoisotopic Mass: 3.6
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]+	232.169586	155.7
[M+Na]+	254.151528	160.6
[M-H]-	230.155034	157.7
[M+NH4]+	249.196133	173.2
[M+K]+	270.125468	157.6
[M+H-H2O]+	214.159570	148.3
[M+HCOO]-	276.160511	172.3
[M+CH3COO]-	290.176161	193.5
[M+Na-2H]-	252.136976	158.8
[M]+	231.16176142	153.9
[M]-	231.16285858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.