CID 162882

59399-24-5

Structural Information

Molecular Formula
C10H17N2O5P
SMILES
CCC1=NC(=CC(=N1)OP(=O)(OC)OC)OCC
InChI
InChI=1S/C10H17N2O5P/c1-5-8-11-9(16-6-2)7-10(12-8)17-18(13,14-3)15-4/h7H,5-6H2,1-4H3
InChIKey
WLTKMXYMVTXVPF-UHFFFAOYSA-N
Compound name
(6-ethoxy-2-ethylpyrimidin-4-yl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09478 161.2
[M+Na]+ 299.07672 169.3
[M-H]- 275.08022 161.2
[M+NH4]+ 294.12132 175.4
[M+K]+ 315.05066 169.6
[M+H-H2O]+ 259.08476 151.1
[M+HCOO]- 321.08570 187.4
[M+CH3COO]- 335.10135 198.9
[M+Na-2H]- 297.06217 164.8
[M]+ 276.08695 170.3
[M]- 276.08805 170.3
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.