CID 3840

Kojic acid

Structural Information

Molecular Formula

C₆H₆O₄

SMILES

C1=C(OC=C(C1=O)O)CO

InChI

InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2

InChIKey

BEJNERDRQOWKJM-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(hydroxymethyl)pyran-4-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 911
References: 49755
Patents: 142.02661 Da
Monoisotopic Mass: -0.9
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]+	143.03389	121.7
[M+Na]+	165.01583	131.6
[M-H]-	141.01933	124.4
[M+NH4]+	160.06043	141.1
[M+K]+	180.98977	131.1
[M+H-H2O]+	125.02387	117.0
[M+HCOO]-	187.02481	144.5
[M+CH3COO]-	201.04046	166.7
[M+Na-2H]-	163.00128	130.2
[M]+	142.02606	123.3
[M]-	142.02716	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe