CID 67456896

1864059-36-8

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1C(CN1)CC2=CC=CC=N2

InChI

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

InChIKey

HENXGQYOOKZDAK-UHFFFAOYSA-N

Compound name

2-(azetidin-3-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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]+	149.107326	128.6
[M+Na]+	171.089268	134.4
[M-H]-	147.092774	130.6
[M+NH4]+	166.133873	139.9
[M+K]+	187.063208	134.4
[M+H-H2O]+	131.097310	116.0
[M+HCOO]-	193.098251	147.5
[M+CH3COO]-	207.113901	175.9
[M+Na-2H]-	169.074716	136.3
[M]+	148.09950142	133.5
[M]-	148.10059858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe