CID 93185

3-nitrosotetrahydro-1,3-oxazine

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1CN(COC1)N=O

InChI

InChI=1S/C4H8N2O2/c7-5-6-2-1-3-8-4-6/h1-4H2

InChIKey

JVQJUHZAZCBYPP-UHFFFAOYSA-N

Compound name

3-nitroso-1,3-oxazinane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 116.05858 Da
Monoisotopic Mass: 0.3
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]+	117.065856	119.4
[M+Na]+	139.047798	125.6
[M-H]-	115.051304	123.2
[M+NH4]+	134.092403	139.3
[M+K]+	155.021738	127.8
[M+H-H2O]+	99.055840	112.7
[M+HCOO]-	161.056781	142.2
[M+CH3COO]-	175.072431	170.5
[M+Na-2H]-	137.033246	129.0
[M]+	116.05803142	117.6
[M]-	116.05912858	117.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.