CID 104439

53207-54-8

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC1(CN(C2=C(C1=O)C=CC(=C2)OC)C)C

InChI

InChI=1S/C13H17NO2/c1-13(2)8-14(3)11-7-9(16-4)5-6-10(11)12(13)15/h5-7H,8H2,1-4H3

InChIKey

ROVWVYMZURZPNP-UHFFFAOYSA-N

Compound name

7-methoxy-1,3,3-trimethyl-2H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.12593 Da
Monoisotopic Mass: 2.4
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]+	220.133206	147.1
[M+Na]+	242.115148	157.1
[M-H]-	218.118654	150.9
[M+NH4]+	237.159753	168.2
[M+K]+	258.089088	154.6
[M+H-H2O]+	202.123190	141.1
[M+HCOO]-	264.124131	166.7
[M+CH3COO]-	278.139781	191.5
[M+Na-2H]-	240.100596	152.9
[M]+	219.12538142	149.0
[M]-	219.12647858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.