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 176.6
[M+Na]+ 327.19308 183.3
[M-H]- 303.19658 175.8
[M+NH4]+ 322.23768 186.3
[M+K]+ 343.16702 179.0
[M+H-H2O]+ 287.20112 162.6
[M+HCOO]- 349.20206 182.3
[M+CH3COO]- 363.21771 222.4
[M+Na-2H]- 325.17853 172.7
[M]+ 304.20331 170.7
[M]- 304.20441 170.7
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.