CID 76573

Eucalyptin

Structural Information

Molecular Formula

C₁₉H₁₈O₅

SMILES

CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3

InChIKey

NHMMAMIRMITGRD-UHFFFAOYSA-N

Compound name

5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 214
Patents: 326.11542 Da
Monoisotopic Mass: 4.0
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]+	327.122696	173.9
[M+Na]+	349.104638	185.5
[M-H]-	325.108144	182.6
[M+NH4]+	344.149243	188.0
[M+K]+	365.078578	183.1
[M+H-H2O]+	309.112680	165.9
[M+HCOO]-	371.113621	194.9
[M+CH3COO]-	385.129271	210.8
[M+Na-2H]-	347.090086	177.8
[M]+	326.11487142	181.5
[M]-	326.11596858	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe