CID 216966

Brn 1008159

Structural Information

Molecular Formula
C11H21N2O4PS
SMILES
CCOP(=O)(OCC)SCC1=NN=C(O1)CC(C)C
InChI
InChI=1S/C11H21N2O4PS/c1-5-15-18(14,16-6-2)19-8-11-13-12-10(17-11)7-9(3)4/h9H,5-8H2,1-4H3
InChIKey
SSKDECQCSKHTCH-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.09598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10326 170.3
[M+Na]+ 331.08520 177.0
[M-H]- 307.08870 170.8
[M+NH4]+ 326.12980 184.3
[M+K]+ 347.05914 177.3
[M+H-H2O]+ 291.09324 160.8
[M+HCOO]- 353.09418 190.4
[M+CH3COO]- 367.10983 203.0
[M+Na-2H]- 329.07065 168.5
[M]+ 308.09543 180.4
[M]- 308.09653 180.4
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.