CID 3044648

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

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C21H34N2O2/c1-2-3-4-5-6-10-17-25-20(24)21(22)13-15-23(16-14-21)18-19-11-8-7-9-12-19/h7-9,11-12H,2-6,10,13-18,22H2,1H3
InChIKey
UEOCDWBGBOBONR-UHFFFAOYSA-N
Compound name
octyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 189.8
[M+Na]+ 369.25124 199.0
[M+NH4]+ 364.29584 197.5
[M+K]+ 385.22518 189.4
[M-H]- 345.25474 192.8
[M+Na-2H]- 367.23669 195.7
[M]+ 346.26147 191.9
[M]- 346.26257 191.9
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.