CID 11106999

13-oxo-9,11-tridecadienoic acid

Structural Information

Molecular Formula
C13H20O3
SMILES
C(CCC/C=C/C=C/C=O)CCCC(=O)O
InChI
InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/b6-4+,10-8+
InChIKey
XHDHWGKEDVWKAN-ONNLMXTPSA-N
Compound name
(9E,11E)-13-oxotrideca-9,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

224.14125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 155.0
[M+Na]+ 247.13047 160.0
[M-H]- 223.13397 152.8
[M+NH4]+ 242.17507 172.5
[M+K]+ 263.10441 156.4
[M+H-H2O]+ 207.13851 149.5
[M+HCOO]- 269.13945 175.6
[M+CH3COO]- 283.15510 187.5
[M+Na-2H]- 245.11592 156.7
[M]+ 224.14070 157.8
[M]- 224.14180 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.