CID 198313

Brn 0812658

Structural Information

Molecular Formula
C12H21N2O4PS
SMILES
CC(C)CC(C)OC1=NN=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C12H21N2O4PS/c1-9(2)8-10(3)17-11-6-7-12(14-13-11)18-19(20,15-4)16-5/h6-7,9-10H,8H2,1-5H3
InChIKey
BJJHHQUISVLXDZ-UHFFFAOYSA-N
Compound name
dimethoxy-[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10326 171.2
[M+Na]+ 343.08520 177.0
[M-H]- 319.08870 170.9
[M+NH4]+ 338.12980 183.9
[M+K]+ 359.05914 176.2
[M+H-H2O]+ 303.09324 160.9
[M+HCOO]- 365.09418 189.9
[M+CH3COO]- 379.10983 206.7
[M+Na-2H]- 341.07065 169.6
[M]+ 320.09543 179.8
[M]- 320.09653 179.8
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.