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 164.4
[M+Na]+ 306.11342 169.7
[M-H]- 282.11692 168.8
[M+NH4]+ 301.15802 179.0
[M+K]+ 322.08736 166.3
[M+H-H2O]+ 266.12146 156.6
[M+HCOO]- 328.12240 177.6
[M+CH3COO]- 342.13805 195.5
[M+Na-2H]- 304.09887 166.8
[M]+ 283.12365 164.8
[M]- 283.12475 164.8
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.