CID 298828

Nsc171163

Structural Information

Molecular Formula
C8H17O3PS
SMILES
CC(C)(C)C1COP(=S)(OC1)OC
InChI
InChI=1S/C8H17O3PS/c1-8(2,3)7-5-10-12(13,9-4)11-6-7/h7H,5-6H2,1-4H3
InChIKey
XVNRSIVQFAZBEB-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07088 146.6
[M+Na]+ 247.05282 153.3
[M-H]- 223.05632 150.3
[M+NH4]+ 242.09742 165.6
[M+K]+ 263.02676 155.0
[M+H-H2O]+ 207.06086 140.1
[M+HCOO]- 269.06180 165.3
[M+CH3COO]- 283.07745 186.0
[M+Na-2H]- 245.03827 149.6
[M]+ 224.06305 150.1
[M]- 224.06415 150.1
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.