CID 131751124

10-hydroxy-2,8-decadiene-4,6-diynoic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
C(/C=C\C#CC#C/C=C/C(=O)O)O
InChI
InChI=1S/C10H8O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-8,11H,9H2,(H,12,13)/b7-5-,8-6+
InChIKey
AJSNUBLNFVLJEB-CGXWXWIYSA-N
Compound name
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.04735 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 162.3
[M+Na]+ 199.03657 169.0
[M+NH4]+ 194.08117 161.2
[M+K]+ 215.01051 159.7
[M-H]- 175.04007 148.4
[M+Na-2H]- 197.02202 158.2
[M]+ 176.04680 157.8
[M]- 176.04790 157.8
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