CID 57483673

2-(azetidin-3-yloxy)acetonitrile hydrochloride

Structural Information

Molecular Formula

SMILES

C1C(CN1)OCC#N

InChI

InChI=1S/C5H8N2O/c6-1-2-8-5-3-7-4-5/h5,7H,2-4H2

InChIKey

FITJBQYCBKGVAP-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yloxy)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.06366 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]+	113.070936	113.6
[M+Na]+	135.052878	120.6
[M-H]-	111.056384	114.4
[M+NH4]+	130.097483	126.4
[M+K]+	151.026818	124.0
[M+H-H2O]+	95.060920	97.2
[M+HCOO]-	157.061861	130.5
[M+CH3COO]-	171.077511	182.5
[M+Na-2H]-	133.038326	120.8
[M]+	112.06311142	114.9
[M]-	112.06420858	114.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.