CID 131752713

10-acetoxy-8-heptadecene-4,6-diyn-3-ol

Structural Information

Molecular Formula
C19H28O3
SMILES
CCCCCCCC(/C=C/C#CC#CC(CC)O)OC(=O)C
InChI
InChI=1S/C19H28O3/c1-4-6-7-8-12-15-19(22-17(3)20)16-13-10-9-11-14-18(21)5-2/h13,16,18-19,21H,4-8,12,15H2,1-3H3/b16-13+
InChIKey
AUQPBBOKCAROLF-DTQAZKPQSA-N
Compound name
[(E)-15-hydroxyheptadec-9-en-11,13-diyn-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.20386 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 184.7
[M+Na]+ 327.19308 190.4
[M+NH4]+ 322.23768 183.0
[M+K]+ 343.16702 180.6
[M-H]- 303.19658 171.0
[M+Na-2H]- 325.17853 179.4
[M]+ 304.20331 180.1
[M]- 304.20441 180.1
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.