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 142.7
[M+Na]+ 228.06649 149.8
[M-H]- 204.06999 141.5
[M+NH4]+ 223.11109 159.9
[M+K]+ 244.04043 147.2
[M+H-H2O]+ 188.07453 138.4
[M+HCOO]- 250.07547 152.0
[M+CH3COO]- 264.09112 176.7
[M+Na-2H]- 226.05194 144.4
[M]+ 205.07672 140.8
[M]- 205.07782 140.8
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.