CID 28940950

Ethyl 1-(4-aminobenzoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H20N2O3/c1-2-20-15(19)12-7-9-17(10-8-12)14(18)11-3-5-13(16)6-4-11/h3-6,12H,2,7-10,16H2,1H3
InChIKey
NDSBPCSUNHWJOM-UHFFFAOYSA-N
Compound name
ethyl 1-(4-aminobenzoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 165.1
[M+Na]+ 299.13662 169.2
[M-H]- 275.14012 169.1
[M+NH4]+ 294.18122 178.9
[M+K]+ 315.11056 166.7
[M+H-H2O]+ 259.14466 156.6
[M+HCOO]- 321.14560 183.0
[M+CH3COO]- 335.16125 200.4
[M+Na-2H]- 297.12207 165.4
[M]+ 276.14685 161.4
[M]- 276.14795 161.4
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

No patent data available for this compound.