CID 21464336

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

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)OC1=C(C=NC=C1)N

InChI

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

InChIKey

OMNWMGVJNXCUIQ-UHFFFAOYSA-N

Compound name

4-propan-2-yloxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 152.09496 Da
Monoisotopic Mass: 0.9
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]+	153.102236	131.7
[M+Na]+	175.084178	139.4
[M-H]-	151.087684	133.9
[M+NH4]+	170.128783	151.2
[M+K]+	191.058118	138.2
[M+H-H2O]+	135.092220	125.2
[M+HCOO]-	197.093161	155.0
[M+CH3COO]-	211.108811	179.0
[M+Na-2H]-	173.069626	137.9
[M]+	152.09441142	131.2
[M]-	152.09550858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe