CID 642154

1,2,4-oxadiazinane-3,5-dione

Structural Information

Molecular Formula
C3H4N2O3
SMILES
C1C(=O)NC(=O)NO1
InChI
InChI=1S/C3H4N2O3/c6-2-1-8-5-3(7)4-2/h1H2,(H2,4,5,6,7)
InChIKey
QCDKMJWIBJTRPD-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazinane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

116.022194 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02947 119.8
[M+Na]+ 139.01141 127.3
[M-H]- 115.01492 118.4
[M+NH4]+ 134.05602 136.7
[M+K]+ 154.98535 126.6
[M+H-H2O]+ 99.019454 113.6
[M+HCOO]- 161.02040 136.4
[M+CH3COO]- 175.03604 160.0
[M+Na-2H]- 136.99686 127.2
[M]+ 116.02165 114.4
[M]- 116.02274 114.4
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

patents stripe