CID 785261

125695-92-3

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCC1=NC(=CC(=C1O)N)C

InChI

InChI=1S/C8H12N2O/c1-3-7-8(11)6(9)4-5(2)10-7/h4,11H,3H2,1-2H3,(H2,9,10)

InChIKey

QTRJLTDNJWSPEY-UHFFFAOYSA-N

Compound name

4-amino-2-ethyl-6-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.09496 Da
Monoisotopic Mass: 1.0
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]+	153.10224	131.8
[M+Na]+	175.08418	141.2
[M-H]-	151.08768	133.2
[M+NH4]+	170.12878	151.3
[M+K]+	191.05812	138.6
[M+H-H2O]+	135.09222	126.0
[M+HCOO]-	197.09316	154.5
[M+CH3COO]-	211.10881	178.0
[M+Na-2H]-	173.06963	137.2
[M]+	152.09441	130.8
[M]-	152.09551	130.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.