CID 67451737

2-(azetidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1C(CN1)CC#N

InChI

InChI=1S/C5H8N2/c6-2-1-5-3-7-4-5/h5,7H,1,3-4H2

InChIKey

DAKLTKIALMRNMH-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 96.06875 Da
Monoisotopic Mass: -0.5
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]+	97.076026	121.5
[M+Na]+	119.05797	127.8
[M+NH4]+	114.10257	123.1
[M+K]+	135.03191	121.3
[M-H]-	95.061474	112.8
[M+Na-2H]-	117.04342	122.2
[M]+	96.068201	117.9
[M]-	96.069299	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe