CID 3039934

Brn 0661515

Structural Information

Molecular Formula
C9H15N2O4PS
SMILES
CCOP(=O)(OCC)SCN1C(=O)C=CC=N1
InChI
InChI=1S/C9H15N2O4PS/c1-3-14-16(13,15-4-2)17-8-11-9(12)6-5-7-10-11/h5-7H,3-4,8H2,1-2H3
InChIKey
QMWADXAINROGIU-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.049 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05628 159.3
[M+Na]+ 301.03822 169.5
[M+NH4]+ 296.08282 164.5
[M+K]+ 317.01216 163.4
[M-H]- 277.04172 157.6
[M+Na-2H]- 299.02367 162.9
[M]+ 278.04845 160.4
[M]- 278.04955 160.4
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.