CID 5102427

2445786-07-0

Structural Information

Molecular Formula
C15H23NO2
SMILES
COC1=CC(=C(C=C1)CCC2CCNCC2)OC
InChI
InChI=1S/C15H23NO2/c1-17-14-6-5-13(15(11-14)18-2)4-3-12-7-9-16-10-8-12/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKey
LGWSGMZHTVLZFO-UHFFFAOYSA-N
Compound name
4-[2-(2,4-dimethoxyphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.2
[M+Na]+ 272.16210 164.5
[M-H]- 248.16560 163.0
[M+NH4]+ 267.20670 175.1
[M+K]+ 288.13604 161.1
[M+H-H2O]+ 232.17014 151.9
[M+HCOO]- 294.17108 177.4
[M+CH3COO]- 308.18673 192.4
[M+Na-2H]- 270.14755 162.8
[M]+ 249.17233 157.5
[M]- 249.17343 157.5
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.