CID 3044630

4-piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C15H22N2O2/c1-2-19-14(18)15(16)8-10-17(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12,16H2,1H3
InChIKey
MTJUAKNERUGVGA-UHFFFAOYSA-N
Compound name
ethyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

262.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.2
[M+Na]+ 285.15734 167.3
[M-H]- 261.16084 166.9
[M+NH4]+ 280.20194 179.4
[M+K]+ 301.13128 164.5
[M+H-H2O]+ 245.16538 155.0
[M+HCOO]- 307.16632 181.6
[M+CH3COO]- 321.18197 197.1
[M+Na-2H]- 283.14279 166.3
[M]+ 262.16757 159.3
[M]- 262.16867 159.3
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

patents stripe