CID 6733328

1-(thiophen-2-ylsulfonyl)piperidin-4-ol

Structural Information

Molecular Formula
C9H13NO3S2
SMILES
C1CN(CCC1O)S(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C9H13NO3S2/c11-8-3-5-10(6-4-8)15(12,13)9-2-1-7-14-9/h1-2,7-8,11H,3-6H2
InChIKey
OTNUHSUHPUESAF-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylsulfonylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.03369 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04097 153.1
[M+Na]+ 270.02291 160.6
[M-H]- 246.02641 156.8
[M+NH4]+ 265.06751 170.8
[M+K]+ 285.99685 156.5
[M+H-H2O]+ 230.03095 147.8
[M+HCOO]- 292.03189 162.0
[M+CH3COO]- 306.04754 182.8
[M+Na-2H]- 268.00836 153.2
[M]+ 247.03314 152.0
[M]- 247.03424 152.0
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.