CID 3069072

84264-71-1

Structural Information

Molecular Formula

C₁₂H₁₃NO₅

SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(C2=O)O)O

InChI

InChI=1S/C12H13NO5/c1-18-10-3-2-7(6-9(10)15)11(16)13-5-4-8(14)12(13)17/h2-3,6,8,14-15H,4-5H2,1H3

InChIKey

VUOZPAGAAMBEGM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 251.07938 Da
Monoisotopic Mass: 0.3
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]+	252.086656	152.6
[M+Na]+	274.068598	160.6
[M-H]-	250.072104	156.0
[M+NH4]+	269.113203	169.0
[M+K]+	290.042538	158.1
[M+H-H2O]+	234.076640	146.2
[M+HCOO]-	296.077581	171.6
[M+CH3COO]-	310.093231	188.1
[M+Na-2H]-	272.054046	152.7
[M]+	251.07883142	152.4
[M]-	251.07992858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe