CID 9796282

(+)-ligballinol

Structural Information

Molecular Formula

C₁₈H₁₈O₄

SMILES

C1C2C(COC2C3=CC=C(C=C3)O)C(O1)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H18O4/c19-13-5-1-11(2-6-13)17-15-9-22-18(16(15)10-21-17)12-3-7-14(20)8-4-12/h1-8,15-20H,9-10H2

InChIKey

AYMLHOROIXAYPH-UHFFFAOYSA-N

Compound name

4-[3-(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 298.1205 Da
Monoisotopic Mass: 2.3
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]+	299.127776	166.0
[M+Na]+	321.109718	173.2
[M-H]-	297.113224	175.9
[M+NH4]+	316.154323	181.8
[M+K]+	337.083658	170.7
[M+H-H2O]+	281.117760	160.9
[M+HCOO]-	343.118701	183.5
[M+CH3COO]-	357.134351	177.9
[M+Na-2H]-	319.095166	166.9
[M]+	298.11995142	165.2
[M]-	298.12104858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe