CID 71439036

63131-73-7

Structural Information

Molecular Formula
C11H19N2O3PS
SMILES
CCCOP(=S)(CC)OC1=NN(C(=O)C=C1C)C
InChI
InChI=1S/C11H19N2O3PS/c1-5-7-15-17(18,6-2)16-11-9(3)8-10(14)13(4)12-11/h8H,5-7H2,1-4H3
InChIKey
QSQYQLTVZVIKIM-UHFFFAOYSA-N
Compound name
6-[ethyl(propoxy)phosphinothioyl]oxy-2,5-dimethylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09268 163.0
[M+Na]+ 313.07462 172.0
[M-H]- 289.07812 163.4
[M+NH4]+ 308.11922 177.7
[M+K]+ 329.04856 169.2
[M+H-H2O]+ 273.08266 153.3
[M+HCOO]- 335.08360 183.9
[M+CH3COO]- 349.09925 201.7
[M+Na-2H]- 311.06007 162.1
[M]+ 290.08485 171.1
[M]- 290.08595 171.1
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.