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]+ 250.180156 160.2
[M+Na]+ 272.162098 164.5
[M-H]- 248.165604 163.0
[M+NH4]+ 267.206703 175.1
[M+K]+ 288.136038 161.1
[M+H-H2O]+ 232.170140 151.9
[M+HCOO]- 294.171081 177.4
[M+CH3COO]- 308.186731 192.4
[M+Na-2H]- 270.147546 162.8
[M]+ 249.17233142 157.5
[M]- 249.17342858 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.