CID 3044644

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

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C19H30N2O2/c1-2-3-4-8-15-23-18(22)19(20)11-13-21(14-12-19)16-17-9-6-5-7-10-17/h5-7,9-10H,2-4,8,11-16,20H2,1H3
InChIKey
SRZVBJPSZARRBD-UHFFFAOYSA-N
Compound name
hexyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 180.7
[M+Na]+ 341.21996 182.9
[M-H]- 317.22346 183.6
[M+NH4]+ 336.26456 194.5
[M+K]+ 357.19390 179.3
[M+H-H2O]+ 301.22800 171.7
[M+HCOO]- 363.22894 197.7
[M+CH3COO]- 377.24459 209.0
[M+Na-2H]- 339.20541 181.7
[M]+ 318.23019 178.1
[M]- 318.23129 178.1
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.