CID 68827154

2138565-75-8

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1C(CN1)(C#N)C2=CC=CC=N2

InChI

InChI=1S/C9H9N3/c10-5-9(6-11-7-9)8-3-1-2-4-12-8/h1-4,11H,6-7H2

InChIKey

HTHLNMHKEFZRPB-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylazetidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 159.07965 Da
Monoisotopic Mass: -0.3
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]+	160.086926	129.6
[M+Na]+	182.068868	137.8
[M-H]-	158.072374	131.2
[M+NH4]+	177.113473	140.9
[M+K]+	198.042808	137.6
[M+H-H2O]+	142.076910	111.7
[M+HCOO]-	204.077851	145.2
[M+CH3COO]-	218.093501	189.2
[M+Na-2H]-	180.054316	137.6
[M]+	159.07910142	129.2
[M]-	159.08019858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe