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
4
Annotation Hits

35
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 159.7
[M+Na]+ 270.14645 162.0
[M-H]- 246.14995 162.0
[M+NH4]+ 265.19105 173.9
[M+K]+ 286.12039 158.9
[M+H-H2O]+ 230.15449 151.4
[M+HCOO]- 292.15543 175.2
[M+CH3COO]- 306.17108 190.4
[M+Na-2H]- 268.13190 161.3
[M]+ 247.15668 154.2
[M]- 247.15778 154.2
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.