CID 5312841

17-octadecene-10,12-diynoic acid, 8-hydroxy-

Structural Information

Molecular Formula
C18H26O3
SMILES
C=CCCCC#CC#CCC(CCCCCCC(=O)O)O
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-5,9-10,12-16H2,(H,20,21)
InChIKey
MKFHJJAOYAVQNC-UHFFFAOYSA-N
Compound name
8-hydroxyoctadec-17-en-10,12-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19548 173.7
[M+Na]+ 313.17742 180.4
[M-H]- 289.18092 172.1
[M+NH4]+ 308.22202 183.2
[M+K]+ 329.15136 175.6
[M+H-H2O]+ 273.18546 160.0
[M+HCOO]- 335.18640 179.3
[M+CH3COO]- 349.20205 219.2
[M+Na-2H]- 311.16287 170.7
[M]+ 290.18765 166.9
[M]- 290.18875 166.9
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.