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 154.1
[M+Na]+ 256.13081 159.5
[M-H]- 232.13431 158.7
[M+NH4]+ 251.17541 170.4
[M+K]+ 272.10475 157.1
[M+H-H2O]+ 216.13885 146.0
[M+HCOO]- 278.13979 172.5
[M+CH3COO]- 292.15544 191.4
[M+Na-2H]- 254.11626 156.6
[M]+ 233.14104 151.6
[M]- 233.14214 151.6
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.