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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 166.0
[M+Na]+ 321.10972 173.2
[M-H]- 297.11322 175.9
[M+NH4]+ 316.15432 181.8
[M+K]+ 337.08366 170.7
[M+H-H2O]+ 281.11776 160.9
[M+HCOO]- 343.11870 183.5
[M+CH3COO]- 357.13435 177.9
[M+Na-2H]- 319.09517 166.9
[M]+ 298.11995 165.2
[M]- 298.12105 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe