CID 22132384

Azetidine-3-carbonitrile

Structural Information

Molecular Formula

C₄H₆N₂

SMILES

C1C(CN1)C#N

InChI

InChI=1S/C4H6N2/c5-1-4-2-6-3-4/h4,6H,2-3H2

InChIKey

PBIUUJCEMUAWJJ-UHFFFAOYSA-N

Compound name

azetidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1728
Patents: 82.0531 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]+	83.060376	117.5
[M+Na]+	105.04232	124.0
[M+NH4]+	100.08692	119.2
[M+K]+	121.01626	117.7
[M-H]-	81.045824	108.9
[M+Na-2H]-	103.02777	118.5
[M]+	82.052551	114.0
[M]-	82.053649	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe