CID 205849

Brn 0990710

Structural Information

Molecular Formula
C8H14NO4PS
SMILES
CCOP(=S)(OCC)OC1=NOC(=C1)C
InChI
InChI=1S/C8H14NO4PS/c1-4-10-14(15,11-5-2)13-8-6-7(3)12-9-8/h6H,4-5H2,1-3H3
InChIKey
FIOYGYKLPOJZBN-UHFFFAOYSA-N
Compound name
diethoxy-[(5-methyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04540 152.7
[M+Na]+ 274.02734 161.1
[M-H]- 250.03084 155.0
[M+NH4]+ 269.07194 170.4
[M+K]+ 290.00128 161.6
[M+H-H2O]+ 234.03538 144.4
[M+HCOO]- 296.03632 176.1
[M+CH3COO]- 310.05197 190.5
[M+Na-2H]- 272.01279 153.5
[M]+ 251.03757 161.9
[M]- 251.03867 161.9
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.