CID 2764181

1-(4-amino-phenyl)-piperidine-4-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H20N2O2/c1-2-18-14(17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10,15H2,1H3
InChIKey
JXCDVJXPSHIHLP-UHFFFAOYSA-N
Compound name
ethyl 1-(4-aminophenyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.7
[M+Na]+ 271.141698 163.2
[M-H]- 247.145204 162.7
[M+NH4]+ 266.186303 173.8
[M+K]+ 287.115638 160.4
[M+H-H2O]+ 231.149740 150.3
[M+HCOO]- 293.150681 177.5
[M+CH3COO]- 307.166331 195.7
[M+Na-2H]- 269.127146 160.5
[M]+ 248.15193142 154.5
[M]- 248.15302858 154.5
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