CID 205681

O,o-dimethyl phosphonothionate of beta-terpineol

Structural Information

Molecular Formula
C12H23O3PS
SMILES
CC(=C)C1CCC(CC1)(C)OP(=S)(OC)OC
InChI
InChI=1S/C12H23O3PS/c1-10(2)11-6-8-12(3,9-7-11)15-16(17,13-4)14-5/h11H,1,6-9H2,2-5H3
InChIKey
HAFWUYTXWSLXRE-UHFFFAOYSA-N
Compound name
dimethoxy-(1-methyl-4-prop-1-en-2-ylcyclohexyl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11785 161.5
[M+Na]+ 301.09979 166.0
[M-H]- 277.10329 163.0
[M+NH4]+ 296.14439 180.5
[M+K]+ 317.07373 164.8
[M+H-H2O]+ 261.10783 154.4
[M+HCOO]- 323.10877 179.5
[M+CH3COO]- 337.12442 198.3
[M+Na-2H]- 299.08524 159.9
[M]+ 278.11002 164.3
[M]- 278.11112 164.3
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.