CID 3044654

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

Structural Information

Molecular Formula
C19H28N2O2
SMILES
C1CCC(CC1)OC(=O)C2(CCN(CC2)CC3=CC=CC=C3)N
InChI
InChI=1S/C19H28N2O2/c20-19(18(22)23-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15,20H2
InChIKey
SGSDBSZXHJRGKF-UHFFFAOYSA-N
Compound name
cyclohexyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 178.9
[M+Na]+ 339.20432 179.4
[M-H]- 315.20782 184.3
[M+NH4]+ 334.24892 191.9
[M+K]+ 355.17826 175.8
[M+H-H2O]+ 299.21236 168.8
[M+HCOO]- 361.21330 192.9
[M+CH3COO]- 375.22895 206.2
[M+Na-2H]- 337.18977 179.2
[M]+ 316.21455 169.3
[M]- 316.21565 169.3
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