CID 216965

Brn 1001774

Structural Information

Molecular Formula
C9H17N2O3PS2
SMILES
CC(C)CC1=NN=C(O1)CSP(=S)(OC)OC
InChI
InChI=1S/C9H17N2O3PS2/c1-7(2)5-8-10-11-9(14-8)6-17-15(16,12-3)13-4/h7H,5-6H2,1-4H3
InChIKey
JAXCLZKZGOSRBU-UHFFFAOYSA-N
Compound name
dimethoxy-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0418 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04908 161.0
[M+Na]+ 319.03102 168.9
[M-H]- 295.03452 161.8
[M+NH4]+ 314.07562 175.9
[M+K]+ 335.00496 167.7
[M+H-H2O]+ 279.03906 152.1
[M+HCOO]- 341.04000 176.5
[M+CH3COO]- 355.05565 199.5
[M+Na-2H]- 317.01647 158.1
[M]+ 296.04125 169.3
[M]- 296.04235 169.3
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.