CID 131751532

Falcarindiol 3-acetate

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCCC/C=C/C(C#CC#CC(C=C)OC(=O)C)O
InChI
InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h5,11,14,18-19,21H,2,4,6-10H2,1,3H3/b14-11+
InChIKey
UZDRBZORBWOTCF-SDNWHVSQSA-N
Compound name
[(9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

302.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 185.1
[M+Na]+ 325.17742 190.7
[M+NH4]+ 320.22202 183.2
[M+K]+ 341.15136 180.9
[M-H]- 301.18092 171.1
[M+Na-2H]- 323.16287 179.6
[M]+ 302.18765 180.4
[M]- 302.18875 180.4
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