CID 5312884

10-oxo-5,8-decadienoic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C(C/C=C/C/C=C/C=O)CC(=O)O
InChI
InChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-2,5,7,9H,3-4,6,8H2,(H,12,13)/b2-1+,7-5+
InChIKey
MZGVULWVGXGTIS-SMMBBOSVSA-N
Compound name
(5E,8E)-10-oxodeca-5,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 141.3
[M+Na]+ 205.08352 147.5
[M-H]- 181.08702 139.7
[M+NH4]+ 200.12812 160.5
[M+K]+ 221.05746 144.8
[M+H-H2O]+ 165.09156 136.4
[M+HCOO]- 227.09250 162.9
[M+CH3COO]- 241.10815 178.4
[M+Na-2H]- 203.06897 144.6
[M]+ 182.09375 143.0
[M]- 182.09485 143.0
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.