CID 216960

Brn 0995683

Structural Information

Molecular Formula
C8H15N2O4PS
SMILES
CCOP(=O)(OCC)SCC1=NN=C(O1)C
InChI
InChI=1S/C8H15N2O4PS/c1-4-12-15(11,13-5-2)16-6-8-10-9-7(3)14-8/h4-6H2,1-3H3
InChIKey
PFCFCHIEKAKJMO-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.049 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05628 157.4
[M+Na]+ 289.03822 166.1
[M+NH4]+ 284.08282 162.5
[M+K]+ 305.01216 162.9
[M-H]- 265.04172 156.3
[M+Na-2H]- 287.02367 158.8
[M]+ 266.04845 158.4
[M]- 266.04955 158.4
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.