CID 3050840

Piperidine, 1-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)CCN2CCCCC2
InChI
InChI=1S/C14H21NO3S/c1-18-13-5-7-14(8-6-13)19(16,17)12-11-15-9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKey
CCFUAYREDVFKHI-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 164.2
[M+Na]+ 306.11342 175.2
[M+NH4]+ 301.15802 171.6
[M+K]+ 322.08736 167.1
[M-H]- 282.11692 166.4
[M+Na-2H]- 304.09887 170.2
[M]+ 283.12365 166.8
[M]- 283.12475 166.8
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.