CID 6481987

88611-52-3

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCC1=NC2=C(C=CC=C2O)C=C1C

InChI

InChI=1S/C12H13NO/c1-3-10-8(2)7-9-5-4-6-11(14)12(9)13-10/h4-7,14H,3H2,1-2H3

InChIKey

CPDHIECFZQYQMR-UHFFFAOYSA-N

Compound name

2-ethyl-3-methylquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 187.09972 Da
Monoisotopic Mass: 3.0
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	139.6
[M+Na]+	210.08894	149.7
[M-H]-	186.09244	142.2
[M+NH4]+	205.13354	159.2
[M+K]+	226.06288	145.7
[M+H-H2O]+	170.09698	133.4
[M+HCOO]-	232.09792	160.5
[M+CH3COO]-	246.11357	183.3
[M+Na-2H]-	208.07439	147.0
[M]+	187.09917	140.7
[M]-	187.10027	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe