CID 3006907

Benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate

Structural Information

Molecular Formula
C11H10N2O5
SMILES
C1C(=O)NC(=O)N(O1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H10N2O5/c14-9-7-18-13(10(15)12-9)11(16)17-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,15)
InChIKey
DQABYYHJSKXSSV-UHFFFAOYSA-N
Compound name
benzyl 3,5-dioxo-1,2,4-oxadiazinane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.05898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06626 152.4
[M+Na]+ 273.04820 159.1
[M-H]- 249.05170 155.5
[M+NH4]+ 268.09280 164.3
[M+K]+ 289.02214 157.8
[M+H-H2O]+ 233.05624 143.8
[M+HCOO]- 295.05718 169.0
[M+CH3COO]- 309.07283 187.1
[M+Na-2H]- 271.03365 157.0
[M]+ 250.05843 151.0
[M]- 250.05953 151.0
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.