CID 5317309

Falcarindiol

Structural Information

Molecular Formula
C17H24O2
SMILES
CCCCCCC/C=C\C(C#CC#CC(C=C)O)O
InChI
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-
InChIKey
QWCNQXNAFCBLLV-UVTDQMKNSA-N
Compound name
(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

77
References

3
Patents

260.17764 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 178.8
[M+Na]+ 283.16686 184.8
[M+NH4]+ 278.21146 177.5
[M+K]+ 299.14080 174.7
[M-H]- 259.17036 165.2
[M+Na-2H]- 281.15231 173.9
[M]+ 260.17709 174.3
[M]- 260.17819 174.3
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