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]+ 375.300606 197.8
[M+Na]+ 397.282548 198.3
[M-H]- 373.286054 199.9
[M+NH4]+ 392.327153 209.3
[M+K]+ 413.256488 193.8
[M+H-H2O]+ 357.290590 188.0
[M+HCOO]- 419.291531 213.5
[M+CH3COO]- 433.307181 220.9
[M+Na-2H]- 395.267996 196.8
[M]+ 374.29278142 196.6
[M]- 374.29387858 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.