CID 2507835

790263-38-6

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2CCCC2

InChI

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

InChIKey

PNIIFDNCPPWFAS-UHFFFAOYSA-N

Compound name

1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.14159 Da
Monoisotopic Mass: 1.9
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	154.3
[M+Na]+	256.130808	160.5
[M-H]-	232.134314	159.3
[M+NH4]+	251.175413	172.5
[M+K]+	272.104748	158.1
[M+H-H2O]+	216.138850	146.8
[M+HCOO]-	278.139791	174.9
[M+CH3COO]-	292.155441	191.6
[M+Na-2H]-	254.116256	155.2
[M]+	233.14104142	154.1
[M]-	233.14213858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe