CID 13608464

2-ethyl-5-methyl-5-propyl-1,3,2lambda5-dioxaphosphinane-2-thione

Structural Information

Molecular Formula
C9H19O2PS
SMILES
CCCC1(COP(=S)(OC1)CC)C
InChI
InChI=1S/C9H19O2PS/c1-4-6-9(3)7-10-12(13,5-2)11-8-9/h4-8H2,1-3H3
InChIKey
XQRBDFBMYQCDBY-UHFFFAOYSA-N
Compound name
2-ethyl-5-methyl-5-propyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.091616 144.4
[M+Na]+ 245.073558 151.1
[M-H]- 221.077064 148.0
[M+NH4]+ 240.118163 165.4
[M+K]+ 261.047498 152.1
[M+H-H2O]+ 205.081600 138.2
[M+HCOO]- 267.082541 163.9
[M+CH3COO]- 281.098191 187.0
[M+Na-2H]- 243.059006 147.3
[M]+ 222.08379142 147.9
[M]- 222.08488858 147.9
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.