CID 61583

Desmethylprodine

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CCC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3

InChIKey

BCQMRZRAWHNSBF-UHFFFAOYSA-N

Compound name

(1-methyl-4-phenylpiperidin-4-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 38
References: 1042
Patents: 247.15723 Da
Monoisotopic Mass: 2.5
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]+	248.16451	158.9
[M+Na]+	270.14645	163.9
[M-H]-	246.14995	163.4
[M+NH4]+	265.19105	176.4
[M+K]+	286.12039	161.6
[M+H-H2O]+	230.15449	151.0
[M+HCOO]-	292.15543	177.0
[M+CH3COO]-	306.17108	192.7
[M+Na-2H]-	268.13190	162.6
[M]+	247.15668	156.7
[M]-	247.15778	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe