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]+	117.06586	119.4
[M+Na]+	139.04780	125.6
[M-H]-	115.05130	123.2
[M+NH4]+	134.09240	139.3
[M+K]+	155.02174	127.8
[M+H-H2O]+	99.055840	112.7
[M+HCOO]-	161.05678	142.2
[M+CH3COO]-	175.07243	170.5
[M+Na-2H]-	137.03325	129.0
[M]+	116.05803	117.6
[M]-	116.05913	117.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.