CID 171119092

5-oxo-6e,8e-tetradecadienoic acid

Structural Information

Molecular Formula
C14H22O3
SMILES
CCCCC/C=C/C=C/C(=O)CCCC(=O)O
InChI
InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6+,10-8+
InChIKey
CUBKHJDNGLGYAG-LQPGMRSMSA-N
Compound name
(6E,8E)-5-oxotetradeca-6,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15689 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 160.0
[M+Na]+ 261.14611 164.3
[M-H]- 237.14961 157.7
[M+NH4]+ 256.19071 176.9
[M+K]+ 277.12005 161.0
[M+H-H2O]+ 221.15415 154.4
[M+HCOO]- 283.15509 179.2
[M+CH3COO]- 297.17074 191.3
[M+Na-2H]- 259.13156 159.9
[M]+ 238.15634 162.5
[M]- 238.15744 162.5
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.