CID 103759

53207-49-1

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1CN(C2=CC=CC=C2C1=O)C

InChI

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

InChIKey

IWTPNBHUUFMRKF-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2,3-dihydroquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 175.09972 Da
Monoisotopic Mass: 2.1
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	136.0
[M+Na]+	198.088938	145.1
[M-H]-	174.092444	139.4
[M+NH4]+	193.133543	156.6
[M+K]+	214.062878	142.1
[M+H-H2O]+	158.096980	129.7
[M+HCOO]-	220.097921	156.0
[M+CH3COO]-	234.113571	182.7
[M+Na-2H]-	196.074386	142.4
[M]+	175.09917142	134.9
[M]-	175.10026858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe