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]+ 289.17983 171.2
[M+Na]+ 311.16177 177.2
[M-H]- 287.16527 170.2
[M+NH4]+ 306.20637 185.5
[M+K]+ 327.13571 170.3
[M+H-H2O]+ 271.16981 165.1
[M+HCOO]- 333.17075 189.5
[M+CH3COO]- 347.18640 196.0
[M+Na-2H]- 309.14722 171.1
[M]+ 288.17200 171.9
[M]- 288.17310 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.