CID 80460697

1-(2-chloropyridin-4-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CCC(C1=CC(=NC=C1)Cl)O

InChI

InChI=1S/C8H10ClNO/c1-2-7(11)6-3-4-10-8(9)5-6/h3-5,7,11H,2H2,1H3

InChIKey

WQBKJGXKYLHXJD-UHFFFAOYSA-N

Compound name

1-(2-chloro-4-pyridinyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 171.04509 Da
Monoisotopic Mass: 1.9
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]+	172.052366	132.5
[M+Na]+	194.034308	141.4
[M-H]-	170.037814	133.6
[M+NH4]+	189.078913	152.0
[M+K]+	210.008248	137.8
[M+H-H2O]+	154.042350	127.4
[M+HCOO]-	216.043291	149.3
[M+CH3COO]-	230.058941	176.1
[M+Na-2H]-	192.019756	138.5
[M]+	171.04454142	133.8
[M]-	171.04563858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe