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]+ 206.084546 142.7
[M+Na]+ 228.066488 149.8
[M-H]- 204.069994 141.5
[M+NH4]+ 223.111093 159.9
[M+K]+ 244.040428 147.2
[M+H-H2O]+ 188.074530 138.4
[M+HCOO]- 250.075471 152.0
[M+CH3COO]- 264.091121 176.7
[M+Na-2H]- 226.051936 144.4
[M]+ 205.07672142 140.8
[M]- 205.07781858 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.