CID 3044650

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

Structural Information

Molecular Formula
C23H38N2O2
SMILES
CCCCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C23H38N2O2/c1-2-3-4-5-6-7-8-12-19-27-22(26)23(24)15-17-25(18-16-23)20-21-13-10-9-11-14-21/h9-11,13-14H,2-8,12,15-20,24H2,1H3
InChIKey
QVMKUCDREVDJMN-UHFFFAOYSA-N
Compound name
decyl 4-amino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.29333 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.30061 197.8
[M+Na]+ 397.28255 198.3
[M-H]- 373.28605 199.9
[M+NH4]+ 392.32715 209.3
[M+K]+ 413.25649 193.8
[M+H-H2O]+ 357.29059 188.0
[M+HCOO]- 419.29153 213.5
[M+CH3COO]- 433.30718 220.9
[M+Na-2H]- 395.26800 196.8
[M]+ 374.29278 196.6
[M]- 374.29388 196.6
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.