CID 3060806

78282-46-9

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

COC1=CC=C(C=C1)C(=O)N2CC(CC2=O)O

InChI

InChI=1S/C12H13NO4/c1-17-10-4-2-8(3-5-10)12(16)13-7-9(14)6-11(13)15/h2-5,9,14H,6-7H2,1H3

InChIKey

SRMMAOXDXMDUGY-UHFFFAOYSA-N

Compound name

4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 235.08446 Da
Monoisotopic Mass: 0.2
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]+	236.09174	149.8
[M+Na]+	258.07368	157.5
[M-H]-	234.07718	154.3
[M+NH4]+	253.11828	167.4
[M+K]+	274.04762	155.3
[M+H-H2O]+	218.08172	143.1
[M+HCOO]-	280.08266	170.2
[M+CH3COO]-	294.09831	187.0
[M+Na-2H]-	256.05913	150.9
[M]+	235.08391	149.6
[M]-	235.08501	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe