CID 42150

57153-01-2

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCOC(=O)[C@@H]1CN(CC[C@@H]1C2=CC=CC=C2)C
InChI
InChI=1S/C16H23NO2/c1-3-11-19-16(18)15-12-17(2)10-9-14(15)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKey
OOWDEVBDTMHXME-HUUCEWRRSA-N
Compound name
propyl (3S,4S)-1-methyl-4-phenylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.7
[M+Na]+ 284.16210 175.8
[M+NH4]+ 279.20670 171.5
[M+K]+ 300.13604 168.5
[M-H]- 260.16560 167.0
[M+Na-2H]- 282.14755 169.9
[M]+ 261.17233 166.2
[M]- 261.17343 166.2
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.