CID 42143

Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (e)-(+-)-

Structural Information

Molecular Formula
C14H19NO2
SMILES
CN1CCC([C@@H](C1)C(=O)OC)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3/t12?,13-/m1/s1
InChIKey
WMVXAQQBRYETCJ-ZGTCLIOFSA-N
Compound name
methyl (3S)-1-methyl-4-phenylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.7
[M+Na]+ 256.13081 167.2
[M+NH4]+ 251.17541 162.9
[M+K]+ 272.10475 160.5
[M-H]- 232.13431 158.1
[M+Na-2H]- 254.11626 161.5
[M]+ 233.14104 157.3
[M]- 233.14214 157.3
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.