CID 3044640

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N
InChI
InChI=1S/C17H26N2O2/c1-14(2)13-21-16(20)17(18)8-10-19(11-9-17)12-15-6-4-3-5-7-15/h3-7,14H,8-13,18H2,1-2H3
InChIKey
IXHLIDCDOYPEBL-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.2
[M+Na]+ 313.18865 175.1
[M-H]- 289.19215 175.6
[M+NH4]+ 308.23325 187.2
[M+K]+ 329.16259 172.5
[M+H-H2O]+ 273.19669 163.9
[M+HCOO]- 335.19763 188.9
[M+CH3COO]- 349.21328 203.9
[M+Na-2H]- 311.17410 173.1
[M]+ 290.19888 168.4
[M]- 290.19998 168.4
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