CID 120738

Alphaprodine

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCC(=O)O[C@@]1(CCN(C[C@@H]1C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m0/s1

InChIKey

UVAZQQHAVMNMHE-XJKSGUPXSA-N

Compound name

[(3S,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 170
References: 10046
Patents: 261.17288 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.180156	162.6
[M+Na]+	284.162098	168.1
[M-H]-	260.165604	167.2
[M+NH4]+	279.206703	179.9
[M+K]+	300.136038	165.6
[M+H-H2O]+	244.170140	154.8
[M+HCOO]-	306.171081	180.3
[M+CH3COO]-	320.186731	196.9
[M+Na-2H]-	282.147546	165.1
[M]+	261.17233142	161.1
[M]-	261.17342858	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe