CID 5375252

Noreugenin

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

CC1=CC(=O)C2=C(C=C(C=C2O1)O)O

InChI

InChI=1S/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3

InChIKey

NCUJRUDLFCGVOE-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 446
Patents: 192.04225 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]+	193.04953	134.2
[M+Na]+	215.03147	145.7
[M-H]-	191.03497	138.3
[M+NH4]+	210.07607	153.1
[M+K]+	231.00541	143.7
[M+H-H2O]+	175.03951	129.1
[M+HCOO]-	237.04045	155.4
[M+CH3COO]-	251.05610	179.1
[M+Na-2H]-	213.01692	142.4
[M]+	192.04170	137.0
[M]-	192.04280	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe