CID 3055117

72039-16-8

Structural Information

Molecular Formula
C10H17N2O4PS
SMILES
CCOP(=S)(OC1=CC(=O)N(N=C1)C)OC(C)C
InChI
InChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-8(2)3)16-9-6-10(13)12(4)11-7-9/h6-8H,5H2,1-4H3
InChIKey
AWHQQQNMQNXHBP-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06467 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07195 161.2
[M+Na]+ 315.05389 169.4
[M-H]- 291.05739 161.5
[M+NH4]+ 310.09849 175.4
[M+K]+ 331.02783 167.9
[M+H-H2O]+ 275.06193 151.5
[M+HCOO]- 337.06287 181.8
[M+CH3COO]- 351.07852 200.4
[M+Na-2H]- 313.03934 160.9
[M]+ 292.06412 169.4
[M]- 292.06522 169.4
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.