CID 3044642

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

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C18H28N2O2/c1-2-3-7-14-22-17(21)18(19)10-12-20(13-11-18)15-16-8-5-4-6-9-16/h4-6,8-9H,2-3,7,10-15,19H2,1H3
InChIKey
CFEYZUADMUPWGA-UHFFFAOYSA-N
Compound name
pentyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.3
[M+Na]+ 327.20432 179.1
[M-H]- 303.20782 179.5
[M+NH4]+ 322.24892 190.8
[M+K]+ 343.17826 175.7
[M+H-H2O]+ 287.21236 167.5
[M+HCOO]- 349.21330 193.7
[M+CH3COO]- 363.22895 206.0
[M+Na-2H]- 325.18977 177.9
[M]+ 304.21455 173.4
[M]- 304.21565 173.4
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