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]+ 223.09162 144.4
[M+Na]+ 245.07356 151.1
[M-H]- 221.07706 148.0
[M+NH4]+ 240.11816 165.4
[M+K]+ 261.04750 152.1
[M+H-H2O]+ 205.08160 138.2
[M+HCOO]- 267.08254 163.9
[M+CH3COO]- 281.09819 187.0
[M+Na-2H]- 243.05901 147.3
[M]+ 222.08379 147.9
[M]- 222.08489 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.