CID 58073118

2-(azetidin-3-yloxy)-5-methylpyridine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=CN=C(C=C1)OC2CNC2

InChI

InChI=1S/C9H12N2O/c1-7-2-3-9(11-4-7)12-8-5-10-6-8/h2-4,8,10H,5-6H2,1H3

InChIKey

HBQLPZHMULMJKR-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yloxy)-5-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 164.09496 Da
Monoisotopic Mass: 0.9
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]+	165.10224	132.1
[M+Na]+	187.08418	140.6
[M+NH4]+	182.12878	136.4
[M+K]+	203.05812	136.5
[M-H]-	163.08768	131.6
[M+Na-2H]-	185.06963	137.4
[M]+	164.09441	131.9
[M]-	164.09551	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe