CID 68309053

4-(azetidin-3-ylmethyl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1C(CN1)CC2=CC=NC=C2

InChI

InChI=1S/C9H12N2/c1-3-10-4-2-8(1)5-9-6-11-7-9/h1-4,9,11H,5-7H2

InChIKey

XTQHFBOFDCGFDK-UHFFFAOYSA-N

Compound name

4-(azetidin-3-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 148.10005 Da
Monoisotopic Mass: 0.7
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]+	149.10733	128.3
[M+Na]+	171.08927	136.9
[M+NH4]+	166.13387	133.2
[M+K]+	187.06321	132.1
[M-H]-	147.09277	128.3
[M+Na-2H]-	169.07472	134.4
[M]+	148.09950	128.3
[M]-	148.10060	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe