CID 266323

14186-00-6

Structural Information

Molecular Formula
C6H9N2O7P
SMILES
COP(=O)(OC)OC1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C6H9N2O7P/c1-13-16(12,14-2)15-3-4(9)7-6(11)8-5(3)10/h3H,1-2H3,(H2,7,8,9,10,11)
InChIKey
HVRCJMKUAYWIKC-UHFFFAOYSA-N
Compound name
dimethyl (2,4,6-trioxo-1,3-diazinan-5-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01474 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02202 147.3
[M+Na]+ 275.00396 154.6
[M-H]- 251.00746 144.4
[M+NH4]+ 270.04856 160.6
[M+K]+ 290.97790 154.2
[M+H-H2O]+ 235.01200 138.8
[M+HCOO]- 297.01294 168.4
[M+CH3COO]- 311.02859 186.4
[M+Na-2H]- 272.98941 149.3
[M]+ 252.01419 148.3
[M]- 252.01529 148.3
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.