CID 102383790

Mammea b/bd

Structural Information

Molecular Formula

C₂₁H₂₆O₅

SMILES

CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)C)O)CC=C(C)C)O

InChI

InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3

InChIKey

FLFMHVIZGHIVEJ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-propylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.178 Da
Monoisotopic Mass: 5.3
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]+	359.185276	184.8
[M+Na]+	381.167218	192.7
[M-H]-	357.170724	187.8
[M+NH4]+	376.211823	196.9
[M+K]+	397.141158	189.8
[M+H-H2O]+	341.175260	178.4
[M+HCOO]-	403.176201	199.6
[M+CH3COO]-	417.191851	217.9
[M+Na-2H]-	379.152666	182.3
[M]+	358.17745142	190.3
[M]-	358.17854858	190.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.