CID 202136

Dtxsid40996958

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)C)N2CCCCC2
InChI
InChI=1S/C16H23NO2/c1-3-19-16(18)15(17-11-5-4-6-12-17)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
WPUKJZPDVFFLDG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylphenyl)-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.5
[M+Na]+ 284.162098 166.7
[M-H]- 260.165604 167.4
[M+NH4]+ 279.206703 178.2
[M+K]+ 300.136038 164.3
[M+H-H2O]+ 244.170140 154.9
[M+HCOO]- 306.171081 180.2
[M+CH3COO]- 320.186731 197.1
[M+Na-2H]- 282.147546 164.4
[M]+ 261.17233142 160.7
[M]- 261.17342858 160.7
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.