CID 66833826

Moppp, (s)-

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)OC)N2CCCC2

InChI

InChI=1S/C14H19NO2/c1-11(15-9-3-4-10-15)14(16)12-5-7-13(17-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1

InChIKey

QJWOQBGBEFNYKB-NSHDSACASA-N

Compound name

(2S)-1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 19
Patents: 233.14159 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]+	234.14887	154.9
[M+Na]+	256.13081	159.9
[M-H]-	232.13431	159.6
[M+NH4]+	251.17541	172.7
[M+K]+	272.10475	158.0
[M+H-H2O]+	216.13885	147.3
[M+HCOO]-	278.13979	174.5
[M+CH3COO]-	292.15544	191.3
[M+Na-2H]-	254.11626	155.3
[M]+	233.14104	153.7
[M]-	233.14214	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe