CID 13309095

2-chloro-6-isopropoxypyridine

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CC(C)OC1=NC(=CC=C1)Cl

InChI

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

InChIKey

KDBNSRRLAJSKEF-UHFFFAOYSA-N

Compound name

2-chloro-6-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 171.04509 Da
Monoisotopic Mass: 3.0
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	131.8
[M+Na]+	194.034308	141.1
[M-H]-	170.037814	134.3
[M+NH4]+	189.078913	152.0
[M+K]+	210.008248	138.4
[M+H-H2O]+	154.042350	126.4
[M+HCOO]-	216.043291	150.1
[M+CH3COO]-	230.058941	178.8
[M+Na-2H]-	192.019756	138.4
[M]+	171.04454142	135.0
[M]-	171.04563858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe