CID 5310969

A-85380

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CN[C@@H]1COC2=CN=CC=C2

InChI

InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1

InChIKey

XKFMBGWHHBCWCD-QMMMGPOBSA-N

Compound name

3-[[(2S)-azetidin-2-yl]methoxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 105
References: 187
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
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	131.9
[M+Na]+	187.08418	140.0
[M+NH4]+	182.12878	136.2
[M+K]+	203.05812	135.7
[M-H]-	163.08768	131.3
[M+Na-2H]-	185.06963	137.4
[M]+	164.09441	131.6
[M]-	164.09551	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe