CID 298822

Nsc171158

Structural Information

Molecular Formula
C8H17O2PS
SMILES
CC(C)(C)C1COP(=S)(OC1)C
InChI
InChI=1S/C8H17O2PS/c1-8(2,3)7-5-9-11(4,12)10-6-7/h7H,5-6H2,1-4H3
InChIKey
AWSCPXZHNMTNLN-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07598 143.4
[M+Na]+ 231.05792 150.2
[M-H]- 207.06142 147.2
[M+NH4]+ 226.10252 163.2
[M+K]+ 247.03186 151.5
[M+H-H2O]+ 191.06596 137.1
[M+HCOO]- 253.06690 161.8
[M+CH3COO]- 267.08255 183.9
[M+Na-2H]- 229.04337 146.1
[M]+ 208.06815 145.4
[M]- 208.06925 145.4
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.