CID 5312393

2e,6e,8e,10e-dodecatetraenoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

192.11504 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe