CID 3069645

Cp 2129 al

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CC1C(NC(=S)C(C1O)C(O)O)C
InChI
InChI=1S/C8H15NO3S/c1-3-4(2)9-7(13)5(6(3)10)8(11)12/h3-6,8,10-12H,1-2H3,(H,9,13)
InChIKey
JOVBPJAEPFRTIX-UHFFFAOYSA-N
Compound name
3-(dihydroxymethyl)-4-hydroxy-5,6-dimethylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 145.3
[M+Na]+ 228.06649 153.3
[M+NH4]+ 223.11109 151.3
[M+K]+ 244.04043 148.6
[M-H]- 204.06999 143.5
[M+Na-2H]- 226.05194 145.1
[M]+ 205.07672 145.9
[M]- 205.07782 145.9
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.