CID 135802698

40598-48-9

Structural Information

Molecular Formula
C6H7N3O5
SMILES
CC(=O)OC1C(=O)NC(=NO)NC1=O
InChI
InChI=1S/C6H7N3O5/c1-2(10)14-3-4(11)7-6(9-13)8-5(3)12/h3,13H,1H3,(H2,7,8,9,11,12)
InChIKey
JHJRBZJMMIQRKK-UHFFFAOYSA-N
Compound name
(2-hydroxyimino-4,6-dioxo-1,3-diazinan-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03857 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.045846 139.0
[M+Na]+ 224.027788 146.3
[M-H]- 200.031294 137.4
[M+NH4]+ 219.072393 153.7
[M+K]+ 240.001728 144.5
[M+H-H2O]+ 184.035830 132.4
[M+HCOO]- 246.036771 156.4
[M+CH3COO]- 260.052421 179.4
[M+Na-2H]- 222.013236 142.0
[M]+ 201.03802142 134.8
[M]- 201.03911858 134.8
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

No patent data available for this compound.