CID 205680

O,o-dimethylphosphonothionate of alpha-terpineol

Structural Information

Molecular Formula
C12H23O3PS
SMILES
CC1=CCC(CC1)C(C)(C)OP(=S)(OC)OC
InChI
InChI=1S/C12H23O3PS/c1-10-6-8-11(9-7-10)12(2,3)15-16(17,13-4)14-5/h6,11H,7-9H2,1-5H3
InChIKey
FEIBWHWCCJKRQE-UHFFFAOYSA-N
Compound name
dimethoxy-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11057 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11785 163.7
[M+Na]+ 301.09979 172.1
[M+NH4]+ 296.14439 170.6
[M+K]+ 317.07373 166.0
[M-H]- 277.10329 163.3
[M+Na-2H]- 299.08524 166.5
[M]+ 278.11002 165.2
[M]- 278.11112 165.2
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.