CID 9588486

Cis-2-(ethylthio)-3,5,5-trimethyl-1,2-oxaphospholan-3-ol 2-oxide

Structural Information

Molecular Formula
C8H17O3PS
SMILES
CCS[P@@]1(=O)[C@](CC(O1)(C)C)(C)O
InChI
InChI=1S/C8H17O3PS/c1-5-13-12(10)8(4,9)6-7(2,3)11-12/h9H,5-6H2,1-4H3/t8-,12+/m0/s1
InChIKey
LMRGLFGOROLWPK-QPUJVOFHSA-N
Compound name
(2R,3S)-2-ethylsulfanyl-3,5,5-trimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0636 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07088 137.5
[M+Na]+ 247.05282 146.7
[M-H]- 223.05632 139.9
[M+NH4]+ 242.09742 163.0
[M+K]+ 263.02676 146.6
[M+H-H2O]+ 207.06086 134.0
[M+HCOO]- 269.06180 158.9
[M+CH3COO]- 283.07745 184.1
[M+Na-2H]- 245.03827 140.6
[M]+ 224.06305 142.9
[M]- 224.06415 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.