CID 3044646

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

Structural Information

Molecular Formula
C20H32N2O2
SMILES
CCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C20H32N2O2/c1-2-3-4-5-9-16-24-19(23)20(21)12-14-22(15-13-20)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17,21H2,1H3
InChIKey
RICMWOWGDLHHJD-UHFFFAOYSA-N
Compound name
heptyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 185.5
[M+Na]+ 355.23559 194.8
[M+NH4]+ 350.28019 193.3
[M+K]+ 371.20953 185.4
[M-H]- 331.23909 188.5
[M+Na-2H]- 353.22104 191.6
[M]+ 332.24582 187.5
[M]- 332.24692 187.5
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.