CID 205851

18853-96-8

Structural Information

Molecular Formula
C10H18NO4PS
SMILES
CCCC1=CC(=NO1)OP(=S)(OCC)OCC
InChI
InChI=1S/C10H18NO4PS/c1-4-7-9-8-10(11-14-9)15-16(17,12-5-2)13-6-3/h8H,4-7H2,1-3H3
InChIKey
UJEMHANPBQJDTR-UHFFFAOYSA-N
Compound name
diethoxy-[(5-propyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07671 162.0
[M+Na]+ 302.05865 169.6
[M-H]- 278.06215 164.0
[M+NH4]+ 297.10325 178.6
[M+K]+ 318.03259 169.6
[M+H-H2O]+ 262.06669 153.4
[M+HCOO]- 324.06763 184.8
[M+CH3COO]- 338.08328 196.5
[M+Na-2H]- 300.04410 161.9
[M]+ 279.06888 172.0
[M]- 279.06998 172.0
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.