CID 216963

37934-17-1

Structural Information

Molecular Formula
C10H19N2O4PS
SMILES
CCCC1=NN=C(O1)CSP(=O)(OCC)OCC
InChI
InChI=1S/C10H19N2O4PS/c1-4-7-9-11-12-10(16-9)8-18-17(13,14-5-2)15-6-3/h4-8H2,1-3H3
InChIKey
LHAVLVBMPFXNEL-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-5-propyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08760 165.6
[M+Na]+ 317.06954 173.0
[M-H]- 293.07304 166.1
[M+NH4]+ 312.11414 180.1
[M+K]+ 333.04348 173.0
[M+H-H2O]+ 277.07758 156.1
[M+HCOO]- 339.07852 187.0
[M+CH3COO]- 353.09417 199.2
[M+Na-2H]- 315.05499 165.2
[M]+ 294.07977 175.8
[M]- 294.08087 175.8
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.