CID 3042698

60244-58-8

Structural Information

Molecular Formula
C10H17N2O5PS
SMILES
CC(C)OP(=S)(OC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C10H17N2O5PS/c1-7(2)16-18(19,15-5)17-8-6-11-12(3)10(13)9(8)14-4/h6-7H,1-5H3
InChIKey
JVOIVIYYXQPTMF-UHFFFAOYSA-N
Compound name
4-methoxy-5-[methoxy(propan-2-yloxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05957 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06685 163.1
[M+Na]+ 331.04879 171.7
[M-H]- 307.05229 163.7
[M+NH4]+ 326.09339 176.7
[M+K]+ 347.02273 170.9
[M+H-H2O]+ 291.05683 153.4
[M+HCOO]- 353.05777 183.8
[M+CH3COO]- 367.07342 203.8
[M+Na-2H]- 329.03424 162.5
[M]+ 308.05902 173.1
[M]- 308.06012 173.1
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.