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]+ 115.05021 117.4
[M+Na]+ 137.03215 124.7
[M-H]- 113.03565 121.6
[M+NH4]+ 132.07675 137.5
[M+K]+ 153.00609 126.7
[M+H-H2O]+ 97.040190 110.8
[M+HCOO]- 159.04113 141.7
[M+CH3COO]- 173.05678 170.1
[M+Na-2H]- 135.01760 128.1
[M]+ 114.04238 117.1
[M]- 114.04348 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.