CID 5312836

9,11-octadecadiynoic acid, 8-hydroxy-

Structural Information

Molecular Formula
C18H28O3
SMILES
CCCCCCC#CC#CC(CCCCCCC(=O)O)O
InChI
InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
InChIKey
PAJZUMALTGAWTA-UHFFFAOYSA-N
Compound name
8-hydroxyoctadeca-9,11-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

292.20386 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 172.9
[M+Na]+ 315.19308 179.4
[M-H]- 291.19658 171.2
[M+NH4]+ 310.23768 182.4
[M+K]+ 331.16702 175.0
[M+H-H2O]+ 275.20112 159.1
[M+HCOO]- 337.20206 178.3
[M+CH3COO]- 351.21771 219.8
[M+Na-2H]- 313.17853 170.0
[M]+ 292.20331 166.6
[M]- 292.20441 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe