CID 55053

83627-22-9

Structural Information

Molecular Formula
C8H17O3PS
SMILES
CCOP1(=S)C(CC(O1)(C)C)(C)O
InChI
InChI=1S/C8H17O3PS/c1-5-10-12(13)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3
InChIKey
YBNOVEDAESLFMJ-UHFFFAOYSA-N
Compound name
2-ethoxy-3,5,5-trimethyl-2-sulfanylidene-1,2lambda5-oxaphospholan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.070876 137.5
[M+Na]+ 247.052818 146.7
[M-H]- 223.056324 139.9
[M+NH4]+ 242.097423 163.0
[M+K]+ 263.026758 146.6
[M+H-H2O]+ 207.060860 134.0
[M+HCOO]- 269.061801 158.9
[M+CH3COO]- 283.077451 184.1
[M+Na-2H]- 245.038266 140.6
[M]+ 224.06305142 142.9
[M]- 224.06414858 142.9
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.