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 158.7
[M+Na]+ 271.14170 163.3
[M-H]- 247.14520 162.7
[M+NH4]+ 266.18630 175.6
[M+K]+ 287.11564 160.8
[M+H-H2O]+ 231.14974 150.8
[M+HCOO]- 293.15068 177.6
[M+CH3COO]- 307.16633 194.0
[M+Na-2H]- 269.12715 162.4
[M]+ 248.15193 154.5
[M]- 248.15303 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