CID 71379228

646521-18-8

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC(C(=O)C1=CC=C(C=C1)CO)N2CCCC2

InChI

InChI=1S/C14H19NO2/c1-11(15-8-2-3-9-15)14(17)13-6-4-12(10-16)5-7-13/h4-7,11,16H,2-3,8-10H2,1H3

InChIKey

MOCYRRGUYQCODZ-UHFFFAOYSA-N

Compound name

1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 233.14159 Da
Monoisotopic Mass: 1.7
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]+	234.148866	155.4
[M+Na]+	256.130808	160.0
[M-H]-	232.134314	158.8
[M+NH4]+	251.175413	172.5
[M+K]+	272.104748	157.2
[M+H-H2O]+	216.138850	148.1
[M+HCOO]-	278.139791	173.5
[M+CH3COO]-	292.155441	188.7
[M+Na-2H]-	254.116256	155.4
[M]+	233.14104142	152.3
[M]-	233.14213858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe