CID 61257861

5-(chloromethyl)-2-(cyclopentyloxy)pyridine

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1CCC(C1)OC2=NC=C(C=C2)CCl

InChI

InChI=1S/C11H14ClNO/c12-7-9-5-6-11(13-8-9)14-10-3-1-2-4-10/h5-6,8,10H,1-4,7H2

InChIKey

DQHWEFSBJAZBLR-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-2-cyclopentyloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.07639 Da
Monoisotopic Mass: 2.8
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]+	212.083666	145.9
[M+Na]+	234.065608	153.4
[M-H]-	210.069114	150.6
[M+NH4]+	229.110213	165.7
[M+K]+	250.039548	149.3
[M+H-H2O]+	194.073650	138.9
[M+HCOO]-	256.074591	163.4
[M+CH3COO]-	270.090241	183.2
[M+Na-2H]-	232.051056	149.6
[M]+	211.07584142	146.0
[M]-	211.07693858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe