CID 3080846

Ethylphenidate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)C(C1CCCCN1)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3
InChIKey
AIVSIRYZIBXTMM-UHFFFAOYSA-N
Compound name
ethyl 2-phenyl-2-piperidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

361
Patents

247.15723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 160.2
[M+Na]+ 270.14645 170.8
[M+NH4]+ 265.19105 167.7
[M+K]+ 286.12039 164.5
[M-H]- 246.14995 162.7
[M+Na-2H]- 268.13190 166.1
[M]+ 247.15668 162.1
[M]- 247.15778 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe