CID 735348

2,5,7-trimethylquinolin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CC1=CC(=C2C(=C1)NC(=CC2=O)C)C

InChI

InChI=1S/C12H13NO/c1-7-4-8(2)12-10(5-7)13-9(3)6-11(12)14/h4-6H,1-3H3,(H,13,14)

InChIKey

RLAFUJHEIQCSIU-UHFFFAOYSA-N

Compound name

2,5,7-trimethyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.09972 Da
Monoisotopic Mass: 2.7
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]+	188.10700	138.3
[M+Na]+	210.08894	149.6
[M-H]-	186.09244	141.3
[M+NH4]+	205.13354	158.2
[M+K]+	226.06288	145.1
[M+H-H2O]+	170.09698	132.4
[M+HCOO]-	232.09792	159.4
[M+CH3COO]-	246.11357	183.7
[M+Na-2H]-	208.07439	145.0
[M]+	187.09917	139.1
[M]-	187.10027	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe