CID 20115455

[2-(propan-2-yloxy)pyridin-4-yl]methanamine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

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

InChI

InChI=1S/C9H14N2O/c1-7(2)12-9-5-8(6-10)3-4-11-9/h3-5,7H,6,10H2,1-2H3

InChIKey

QMZPLCOKXAKKSW-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxypyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.11061 Da
Monoisotopic Mass: 0.8
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]+	167.11789	135.9
[M+Na]+	189.09983	147.7
[M+NH4]+	184.14443	144.0
[M+K]+	205.07377	142.0
[M-H]-	165.10333	137.9
[M+Na-2H]-	187.08528	142.4
[M]+	166.11006	138.0
[M]-	166.11116	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe