CID 16791832

[2-(cyclopentyloxy)pyridin-4-yl]methanamine

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CCC(C1)OC2=NC=CC(=C2)CN

InChI

InChI=1S/C11H16N2O/c12-8-9-5-6-13-11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8,12H2

InChIKey

ZOVABZICAJRXLO-UHFFFAOYSA-N

Compound name

(2-cyclopentyloxy-4-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.12627 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]+	193.133546	142.1
[M+Na]+	215.115488	147.9
[M-H]-	191.118994	146.5
[M+NH4]+	210.160093	161.3
[M+K]+	231.089428	145.3
[M+H-H2O]+	175.123530	134.4
[M+HCOO]-	237.124471	164.8
[M+CH3COO]-	251.140121	183.5
[M+Na-2H]-	213.100936	146.0
[M]+	192.12572142	138.7
[M]-	192.12681858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe