CID 84107928

4-(3,3-dimethylazetidin-2-yl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1(CNC1C2=CC=NC=C2)C

InChI

InChI=1S/C10H14N2/c1-10(2)7-12-9(10)8-3-5-11-6-4-8/h3-6,9,12H,7H2,1-2H3

InChIKey

OVCUSDDNWFWDER-UHFFFAOYSA-N

Compound name

4-(3,3-dimethylazetidin-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 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]+	163.122966	135.6
[M+Na]+	185.104908	142.9
[M-H]-	161.108414	138.4
[M+NH4]+	180.149513	148.8
[M+K]+	201.078848	142.7
[M+H-H2O]+	145.112950	124.1
[M+HCOO]-	207.113891	154.2
[M+CH3COO]-	221.129541	179.4
[M+Na-2H]-	183.090356	142.8
[M]+	162.11514142	141.6
[M]-	162.11623858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.