CID 5312885

9-oxo-2,4,5,7-decatetraenoic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
CC(=O)/C=C/C=C=C/C=C/C(=O)O
InChI
InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h3-8H,1H3,(H,12,13)/b7-5+,8-6+
InChIKey
WLUIOVBNENBQAH-KQQUZDAGSA-N
Compound name
(2E,7E)-9-oxodeca-2,4,5,7-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 138.5
[M+Na]+ 201.05221 145.3
[M-H]- 177.05571 137.1
[M+NH4]+ 196.09681 157.8
[M+K]+ 217.02615 141.8
[M+H-H2O]+ 161.06025 134.0
[M+HCOO]- 223.06119 159.5
[M+CH3COO]- 237.07684 176.1
[M+Na-2H]- 199.03766 140.7
[M]+ 178.06244 137.9
[M]- 178.06354 137.9
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.