CID 597207

Arachidoside

Structural Information

Molecular Formula

C₁₆H₁₆O₆

SMILES

COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O

InChI

InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3

InChIKey

NJHJXXLBWQXMRO-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 125
Patents: 304.0947 Da
Monoisotopic Mass: 0.7
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]+	305.10198	166.7
[M+Na]+	327.08392	174.9
[M-H]-	303.08742	170.6
[M+NH4]+	322.12852	179.1
[M+K]+	343.05786	172.2
[M+H-H2O]+	287.09196	159.8
[M+HCOO]-	349.09290	181.3
[M+CH3COO]-	363.10855	197.8
[M+Na-2H]-	325.06937	170.0
[M]+	304.09415	167.0
[M]-	304.09525	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe