CID 13870570

Malabaricano

Structural Information

Molecular Formula

C₂₀H₂₄O₅

SMILES

CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3

InChIKey

GMXMKSFJQLFOSO-UHFFFAOYSA-N

Compound name

4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 344.16238 Da
Monoisotopic Mass: 3.7
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]+	345.169656	180.7
[M+Na]+	367.151598	188.9
[M-H]-	343.155104	189.7
[M+NH4]+	362.196203	193.9
[M+K]+	383.125538	186.3
[M+H-H2O]+	327.159640	173.7
[M+HCOO]-	389.160581	199.3
[M+CH3COO]-	403.176231	210.7
[M+Na-2H]-	365.137046	178.8
[M]+	344.16183142	184.3
[M]-	344.16292858	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe