CID 3042695

60244-55-5

Structural Information

Molecular Formula
C8H13N2O5PS
SMILES
CN1C(=O)C(=C(C=N1)OP(=S)(OC)OC)OC
InChI
InChI=1S/C8H13N2O5PS/c1-10-8(11)7(12-2)6(5-9-10)15-16(17,13-3)14-4/h5H,1-4H3
InChIKey
KDLATEWVDUMIOW-UHFFFAOYSA-N
Compound name
5-dimethoxyphosphinothioyloxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03558 154.6
[M+Na]+ 303.01752 164.5
[M-H]- 279.02102 155.5
[M+NH4]+ 298.06212 169.4
[M+K]+ 318.99146 163.5
[M+H-H2O]+ 263.02556 145.2
[M+HCOO]- 325.02650 177.0
[M+CH3COO]- 339.04215 197.0
[M+Na-2H]- 301.00297 155.9
[M]+ 280.02775 164.4
[M]- 280.02885 164.4
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.