CID 3040302

6-propoxypyridin-3-amine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCCOC1=NC=C(C=C1)N

InChI

InChI=1S/C8H12N2O/c1-2-5-11-8-4-3-7(9)6-10-8/h3-4,6H,2,5,9H2,1H3

InChIKey

VVLPQYRZXQIATJ-UHFFFAOYSA-N

Compound name

6-propoxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 152.09496 Da
Monoisotopic Mass: 1.4
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	131.1
[M+Na]+	175.08418	143.4
[M+NH4]+	170.12878	139.4
[M+K]+	191.05812	137.1
[M-H]-	151.08768	133.3
[M+Na-2H]-	173.06963	138.3
[M]+	152.09441	133.3
[M]-	152.09551	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe