CID 71695437

Oxetane-3-carbonitrile

Structural Information

Molecular Formula

SMILES

C1C(CO1)C#N

InChI

InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2

InChIKey

PXDVPPINZKNVNF-UHFFFAOYSA-N

Compound name

oxetane-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 83.03712 Da
Monoisotopic Mass: -0.4
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]+	84.044396	115.2
[M+Na]+	106.02634	122.4
[M+NH4]+	101.07094	117.5
[M+K]+	122.00028	116.4
[M-H]-	82.029844	108.5
[M+Na-2H]-	104.01179	116.5
[M]+	83.036571	112.5
[M]-	83.037669	112.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe