CID 103762

53207-57-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1(C(C2=CC=CC=C2N(C1=O)C)O)C

InChI

InChI=1S/C12H15NO2/c1-12(2)10(14)8-6-4-5-7-9(8)13(3)11(12)15/h4-7,10,14H,1-3H3

InChIKey

BXZGPXNHCITSAH-UHFFFAOYSA-N

Compound name

4-hydroxy-1,3,3-trimethyl-4H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 205.11028 Da
Monoisotopic Mass: 1.1
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]+	206.11756	144.9
[M+Na]+	228.09950	158.5
[M+NH4]+	223.14410	154.8
[M+K]+	244.07344	150.1
[M-H]-	204.10300	146.7
[M+Na-2H]-	226.08495	151.3
[M]+	205.10973	147.5
[M]-	205.11083	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe