CID 22727217

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

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

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

InChI

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

InChIKey

XCKHPYOSLVIIBZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 171.04509 Da
Monoisotopic Mass: 1.2
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	133.2
[M+Na]+	194.034308	142.7
[M-H]-	170.037814	134.5
[M+NH4]+	189.078913	152.8
[M+K]+	210.008248	139.0
[M+H-H2O]+	154.042350	128.5
[M+HCOO]-	216.043291	149.3
[M+CH3COO]-	230.058941	175.6
[M+Na-2H]-	192.019756	141.0
[M]+	171.04454142	134.6
[M]-	171.04563858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe