CID 14071569

3-(6-chloropyridin-3-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

C1=CC(=NC=C1CCCO)Cl

InChI

InChI=1S/C8H10ClNO/c9-8-4-3-7(6-10-8)2-1-5-11/h3-4,6,11H,1-2,5H2

InChIKey

WVYMRSMUEYGVDQ-UHFFFAOYSA-N

Compound name

3-(6-chloropyridin-3-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 171.04509 Da
Monoisotopic Mass: 1.7
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]+	172.05237	132.7
[M+Na]+	194.03431	146.9
[M+NH4]+	189.07891	141.6
[M+K]+	210.00825	139.4
[M-H]-	170.03781	134.4
[M+Na-2H]-	192.01976	140.2
[M]+	171.04454	135.5
[M]-	171.04564	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe