CID 165674517

2h,3h,4h,6h,7h,9h-[1,2,4]triazino[3,4-c]morpholine-3,4-dione

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1COCC2=NNC(=O)C(=O)N21
InChI
InChI=1S/C6H7N3O3/c10-5-6(11)9-1-2-12-3-4(9)7-8-5/h1-3H2,(H,8,10)
InChIKey
WTOITWZBDMCSBM-UHFFFAOYSA-N
Compound name
2,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]triazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 130.7
[M+Na]+ 192.03796 140.9
[M-H]- 168.04146 130.8
[M+NH4]+ 187.08256 146.2
[M+K]+ 208.01190 139.1
[M+H-H2O]+ 152.04600 123.0
[M+HCOO]- 214.04694 147.8
[M+CH3COO]- 228.06259 173.3
[M+Na-2H]- 190.02341 140.3
[M]+ 169.04819 129.5
[M]- 169.04929 129.5
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

No patent data available for this compound.