CID 68331

1,3,5-oxadiazinan-4-one

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C1NC(=O)NCO1
InChI
InChI=1S/C3H6N2O2/c6-3-4-1-7-2-5-3/h1-2H2,(H2,4,5,6)
InChIKey
LYBCPJIYBPKTHI-UHFFFAOYSA-N
Compound name
1,3,5-oxadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

102.04293 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.050206 118.3
[M+Na]+ 125.032148 124.6
[M-H]- 101.035654 116.6
[M+NH4]+ 120.076753 135.6
[M+K]+ 141.006088 124.2
[M+H-H2O]+ 85.040190 112.0
[M+HCOO]- 147.041131 134.5
[M+CH3COO]- 161.056781 157.5
[M+Na-2H]- 123.017596 126.4
[M]+ 102.04238142 111.8
[M]- 102.04347858 111.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe