CID 3044638

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C17H26N2O2/c1-2-3-13-21-16(20)17(18)9-11-19(12-10-17)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14,18H2,1H3
InChIKey
NOQKNOUFQFHYCT-UHFFFAOYSA-N
Compound name
butyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.3
[M+Na]+ 313.18865 182.3
[M+NH4]+ 308.23325 180.6
[M+K]+ 329.16259 173.6
[M-H]- 289.19215 175.4
[M+Na-2H]- 311.17410 179.2
[M]+ 290.19888 174.5
[M]- 290.19998 174.5
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

No patent data available for this compound.