CID 21850847

2-(propan-2-yloxy)pyridin-3-amine

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)OC1=C(C=CC=N1)N

InChI

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

InChIKey

JIDBUDDBHHWQDG-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 152.09496 Da
Monoisotopic Mass: 1.3
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	131.7
[M+Na]+	175.08418	139.4
[M+NH4]+	170.12878	133.9
[M+K]+	191.05812	151.2
[M-H]-	151.08768	138.2
[M+Na-2H]-	173.06963	125.2
[M]+	152.09441	155.0
[M]-	152.09551	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe