CID 5312395

3,5,7,9,11-dodecapentaenoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C=C/C=C/C=C/C=C/C=C/CC(=O)O
InChI
InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+
InChIKey
JSPNCMDQJNUPED-BYFNFPHLSA-N
Compound name
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 144.5
[M+Na]+ 213.088598 150.8
[M-H]- 189.092104 142.8
[M+NH4]+ 208.133203 163.5
[M+K]+ 229.062538 145.8
[M+H-H2O]+ 173.096640 139.8
[M+HCOO]- 235.097581 165.7
[M+CH3COO]- 249.113231 179.4
[M+Na-2H]- 211.074046 146.9
[M]+ 190.09883142 143.9
[M]- 190.09992858 143.9
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

patents stripe