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: 4
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	143.5
[M+Na]+	228.09950	153.6
[M-H]-	204.10300	146.1
[M+NH4]+	223.14410	164.5
[M+K]+	244.07344	150.4
[M+H-H2O]+	188.10754	138.0
[M+HCOO]-	250.10848	161.9
[M+CH3COO]-	264.12413	186.0
[M+Na-2H]-	226.08495	149.4
[M]+	205.10973	143.2
[M]-	205.11083	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe