CID 16292

1-amino-4-phenylisonipecotic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCOC(=O)C1(CCN(CC1)N)C2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c1-2-18-13(17)14(8-10-16(15)11-9-14)12-6-4-3-5-7-12/h3-7H,2,8-11,15H2,1H3
InChIKey
NBQFAFOWKALMME-UHFFFAOYSA-N
Compound name
ethyl 1-amino-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

248.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.0
[M+Na]+ 271.14170 169.7
[M+NH4]+ 266.18630 167.9
[M+K]+ 287.11564 161.7
[M-H]- 247.14520 162.3
[M+Na-2H]- 269.12715 166.8
[M]+ 248.15193 161.4
[M]- 248.15303 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

patents stripe