CID 5312392

2e,4e,8z,10e-dodecatetraenoic acid

Structural Information

Molecular Formula
C12H16O2
SMILES
C/C=C/C=C\CC/C=C/C=C/C(=O)O
InChI
InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5,8-11H,6-7H2,1H3,(H,13,14)/b3-2+,5-4-,9-8+,11-10+
InChIKey
RUQFLFFSSDCHKE-CRIHJKBTSA-N
Compound name
(2E,4E,8Z,10E)-dodeca-2,4,8,10-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 146.3
[M+Na]+ 215.10426 152.2
[M-H]- 191.10776 144.5
[M+NH4]+ 210.14886 165.3
[M+K]+ 231.07820 147.9
[M+H-H2O]+ 175.11230 141.5
[M+HCOO]- 237.11324 167.2
[M+CH3COO]- 251.12889 180.2
[M+Na-2H]- 213.08971 148.6
[M]+ 192.11449 146.4
[M]- 192.11559 146.4
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