CID 592775

Hydroxydiazinon

Structural Information

Molecular Formula
C12H21N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)(C)O
InChI
InChI=1S/C12H21N2O4PS/c1-6-16-19(20,17-7-2)18-10-8-9(3)13-11(14-10)12(4,5)15/h8,15H,6-7H2,1-5H3
InChIKey
OZYAOPOQPFWGIH-UHFFFAOYSA-N
Compound name
2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

320.09598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10326 174.2
[M+Na]+ 343.08520 181.1
[M-H]- 319.08870 172.8
[M+NH4]+ 338.12980 186.5
[M+K]+ 359.05914 178.9
[M+H-H2O]+ 303.09324 164.6
[M+HCOO]- 365.09418 191.7
[M+CH3COO]- 379.10983 204.3
[M+Na-2H]- 341.07065 174.6
[M]+ 320.09543 181.8
[M]- 320.09653 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.