CID 20117748

[6-(propan-2-yloxy)pyridin-3-yl]methanamine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

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

InChI

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

InChIKey

ZAXOTNRUSOIDKV-UHFFFAOYSA-N

Compound name

(6-propan-2-yloxypyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	136.4
[M+Na]+	189.09983	143.6
[M-H]-	165.10333	138.3
[M+NH4]+	184.14443	155.3
[M+K]+	205.07377	142.2
[M+H-H2O]+	149.10787	129.6
[M+HCOO]-	211.10881	159.3
[M+CH3COO]-	225.12446	182.1
[M+Na-2H]-	187.08528	142.0
[M]+	166.11006	136.2
[M]-	166.11116	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe