CID 3045447

60737-65-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

COC1=CC=C(C=C1)CN2CCCC2=O

InChI

InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3

InChIKey

JFXXBYZUNOVBOQ-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 205.11028 Da
Monoisotopic Mass: 1.2
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]+	206.11756	146.3
[M+Na]+	228.09950	158.4
[M+NH4]+	223.14410	154.6
[M+K]+	244.07344	153.4
[M-H]-	204.10300	149.2
[M+Na-2H]-	226.08495	152.9
[M]+	205.10973	148.7
[M]-	205.11083	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe