CID 202923

Piperidine, 1-(2-((3,4,5-trimethoxybenzyl)oxy)ethyl)-

Structural Information

Molecular Formula
C17H27NO4
SMILES
COC1=CC(=CC(=C1OC)OC)COCCN2CCCCC2
InChI
InChI=1S/C17H27NO4/c1-19-15-11-14(12-16(20-2)17(15)21-3)13-22-10-9-18-7-5-4-6-8-18/h11-12H,4-10,13H2,1-3H3
InChIKey
PXHSFECRQXMATJ-UHFFFAOYSA-N
Compound name
1-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.201276 174.4
[M+Na]+ 332.183218 178.9
[M-H]- 308.186724 178.5
[M+NH4]+ 327.227823 187.7
[M+K]+ 348.157158 177.2
[M+H-H2O]+ 292.191260 165.1
[M+HCOO]- 354.192201 192.8
[M+CH3COO]- 368.207851 206.3
[M+Na-2H]- 330.168666 175.8
[M]+ 309.19345142 177.6
[M]- 309.19454858 177.6
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.