CID 165674517

2408959-91-9

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]+ 170.056016 130.7
[M+Na]+ 192.037958 140.9
[M-H]- 168.041464 130.8
[M+NH4]+ 187.082563 146.2
[M+K]+ 208.011898 139.1
[M+H-H2O]+ 152.046000 123.0
[M+HCOO]- 214.046941 147.8
[M+CH3COO]- 228.062591 173.3
[M+Na-2H]- 190.023406 140.3
[M]+ 169.04819142 129.5
[M]- 169.04928858 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.