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

12
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 144.5
[M+Na]+ 213.08860 150.8
[M-H]- 189.09210 142.8
[M+NH4]+ 208.13320 163.5
[M+K]+ 229.06254 145.8
[M+H-H2O]+ 173.09664 139.8
[M+HCOO]- 235.09758 165.7
[M+CH3COO]- 249.11323 179.4
[M+Na-2H]- 211.07405 146.9
[M]+ 190.09883 143.9
[M]- 190.09993 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