CID 53346596

3-(nitromethylene)oxetane

Structural Information

Molecular Formula

SMILES

C1C(=C[N+](=O)[O-])CO1

InChI

InChI=1S/C4H5NO3/c6-5(7)1-4-2-8-3-4/h1H,2-3H2

InChIKey

YYPAYWPSPJDUBG-UHFFFAOYSA-N

Compound name

3-(nitromethylidene)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 115.02694 Da
Monoisotopic Mass: -0.6
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]+	116.03422	118.4
[M+Na]+	138.01616	125.2
[M+NH4]+	133.06076	122.5
[M+K]+	153.99010	125.4
[M-H]-	114.01966	118.7
[M+Na-2H]-	136.00161	120.4
[M]+	115.02639	117.9
[M]-	115.02749	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe