CID 76762

3,6-dihydro-2-nitroso-2h-1,2-oxazine

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1C=CCON1N=O
InChI
InChI=1S/C4H6N2O2/c7-5-6-3-1-2-4-8-6/h1-2H,3-4H2
InChIKey
JRIFTVNYAPUKTK-UHFFFAOYSA-N
Compound name
2-nitroso-3,6-dihydrooxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

114.04293 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 117.4
[M+Na]+ 137.032148 124.7
[M-H]- 113.035654 121.6
[M+NH4]+ 132.076753 137.5
[M+K]+ 153.006088 126.7
[M+H-H2O]+ 97.040190 110.8
[M+HCOO]- 159.041131 141.7
[M+CH3COO]- 173.056781 170.1
[M+Na-2H]- 135.017596 128.1
[M]+ 114.04238142 117.1
[M]- 114.04347858 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.