CID 202135

Ethyl 2-phenyl-2-piperidinoacetate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKey
AGSKYKDXQOBAPX-UHFFFAOYSA-N
Compound name
ethyl 2-phenyl-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.3
[M+Na]+ 270.14645 162.0
[M-H]- 246.14995 163.0
[M+NH4]+ 265.19105 174.3
[M+K]+ 286.12039 159.8
[M+H-H2O]+ 230.15449 150.7
[M+HCOO]- 292.15543 176.3
[M+CH3COO]- 306.17108 192.9
[M+Na-2H]- 268.13190 161.4
[M]+ 247.15668 155.7
[M]- 247.15778 155.7
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