CID 155920165

Virensol a

Structural Information

Molecular Formula
C18H24O3
SMILES
CCCCC/C=C/C=C/C=C/C1=C(C=CC(=C1CO)O)O
InChI
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-9-10-11-15-16(14-19)18(21)13-12-17(15)20/h6-13,19-21H,2-5,14H2,1H3/b7-6+,9-8+,11-10+
InChIKey
LRRORUIFQWHQBK-OBWVEWQSSA-N
Compound name
2-(hydroxymethyl)-3-[(1E,3E,5E)-undeca-1,3,5-trienyl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.17255 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.179826 171.2
[M+Na]+ 311.161768 177.2
[M-H]- 287.165274 170.2
[M+NH4]+ 306.206373 185.5
[M+K]+ 327.135708 170.3
[M+H-H2O]+ 271.169810 165.1
[M+HCOO]- 333.170751 189.5
[M+CH3COO]- 347.186401 196.0
[M+Na-2H]- 309.147216 171.1
[M]+ 288.17200142 171.9
[M]- 288.17309858 171.9
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

No patent data available for this compound.