CID 3060805

78282-45-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₄

SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCC2=O)O

InChI

InChI=1S/C12H13NO4/c1-17-10-5-4-8(7-9(10)14)12(16)13-6-2-3-11(13)15/h4-5,7,14H,2-3,6H2,1H3

InChIKey

XPLNSJFVMBLFNT-UHFFFAOYSA-N

Compound name

1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 235.08446 Da
Monoisotopic Mass: 0.8
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	151.8
[M+Na]+	258.07368	162.4
[M+NH4]+	253.11828	158.2
[M+K]+	274.04762	159.8
[M-H]-	234.07718	152.7
[M+Na-2H]-	256.05913	156.2
[M]+	235.08391	153.2
[M]-	235.08501	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe