CID 2851717

66335-85-1

Structural Information

Molecular Formula
C9H17NO3S
SMILES
C1CCN(CC1)C2CS(=O)(=O)CC2O
InChI
InChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2
InChIKey
SNEPMRMWHXCLPC-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

219.09291 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10019 147.0
[M+Na]+ 242.08213 153.5
[M-H]- 218.08563 150.6
[M+NH4]+ 237.12673 167.6
[M+K]+ 258.05607 151.0
[M+H-H2O]+ 202.09017 141.8
[M+HCOO]- 264.09111 159.7
[M+CH3COO]- 278.10676 179.1
[M+Na-2H]- 240.06758 147.0
[M]+ 219.09236 143.3
[M]- 219.09346 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.