CID 90423

Ethyl 1-benzylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)C1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKey
ASQCOPJFYLJCGD-UHFFFAOYSA-N
Compound name
ethyl 1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

524
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.0
[M+Na]+ 270.14645 163.0
[M-H]- 246.14995 163.0
[M+NH4]+ 265.19105 174.4
[M+K]+ 286.12039 160.3
[M+H-H2O]+ 230.15449 150.5
[M+HCOO]- 292.15543 177.1
[M+CH3COO]- 306.17108 193.2
[M+Na-2H]- 268.13190 161.6
[M]+ 247.15668 156.5
[M]- 247.15778 156.5
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