CID 134812119

11-oxo-undeca-5,8-dienoic acid

Structural Information

Molecular Formula
C11H16O3
SMILES
C(C/C=C\C/C=C\CC=O)CC(=O)O
InChI
InChI=1S/C11H16O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1,3-4,6,10H,2,5,7-9H2,(H,13,14)/b3-1-,6-4-
InChIKey
KPKKCUVOGCYKCP-OVYZBVKCSA-N
Compound name
(5Z,8Z)-11-oxoundeca-5,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 145.9
[M+Na]+ 219.09916 151.7
[M-H]- 195.10266 144.1
[M+NH4]+ 214.14376 164.5
[M+K]+ 235.07310 148.7
[M+H-H2O]+ 179.10720 140.8
[M+HCOO]- 241.10814 167.1
[M+CH3COO]- 255.12379 181.4
[M+Na-2H]- 217.08461 148.7
[M]+ 196.10939 147.9
[M]- 196.11049 147.9
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

No patent data available for this compound.