CID 3052683

69226-09-1

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CCC1(C(=S)NC(C(O1)O)O)CC
InChI
InChI=1S/C8H15NO3S/c1-3-8(4-2)7(13)9-5(10)6(11)12-8/h5-6,10-11H,3-4H2,1-2H3,(H,9,13)
InChIKey
HWOQSDBFAAQWGB-UHFFFAOYSA-N
Compound name
2,2-diethyl-5,6-dihydroxymorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 145.0
[M+Na]+ 228.06649 154.0
[M+NH4]+ 223.11109 152.8
[M+K]+ 244.04043 146.6
[M-H]- 204.06999 145.1
[M+Na-2H]- 226.05194 147.2
[M]+ 205.07672 146.6
[M]- 205.07782 146.6
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.