CID 53534841

1-[2-(4-bromobenzenesulfonyl)ethyl]piperidin-3-ol

Structural Information

Molecular Formula
C13H18BrNO3S
SMILES
C1CC(CN(C1)CCS(=O)(=O)C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C13H18BrNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2
InChIKey
JHCOLXLVDVLUJJ-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.01907 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02635 162.3
[M+Na]+ 370.00829 171.7
[M-H]- 346.01179 168.3
[M+NH4]+ 365.05289 178.0
[M+K]+ 385.98223 159.1
[M+H-H2O]+ 330.01633 161.9
[M+HCOO]- 392.01727 172.7
[M+CH3COO]- 406.03292 200.4
[M+Na-2H]- 367.99374 166.2
[M]+ 347.01852 179.8
[M]- 347.01962 179.8
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.