CID 131751555

(2z,4e,6z,8e,10e,12z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid

Structural Information

Molecular Formula
C14H14O4
SMILES
C(=C/C=C/C=C\C(=O)O)\C=C/C=C/C=C\C(=O)O
InChI
InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1-,4-2+,7-5+,8-6+,11-9-,12-10-
InChIKey
PXPBPRNNNVMUEY-GTLDOENYSA-N
Compound name
(2Z,4E,6Z,8E,10E,12Z)-tetradeca-2,4,6,8,10,12-hexaenedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

246.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 161.3
[M+Na]+ 269.07842 167.9
[M+NH4]+ 264.12302 163.8
[M+K]+ 285.05236 162.7
[M-H]- 245.08192 155.9
[M+Na-2H]- 267.06387 159.5
[M]+ 246.08865 159.8
[M]- 246.08975 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe