CID 10443614

11-hydroxy-4-methyl-2,4,6-dodecatrienoic acid

Structural Information

Molecular Formula
C13H20O3
SMILES
CC(CCC/C=C/C=C(\C)/C=C/C(=O)O)O
InChI
InChI=1S/C13H20O3/c1-11(9-10-13(15)16)7-5-3-4-6-8-12(2)14/h3,5,7,9-10,12,14H,4,6,8H2,1-2H3,(H,15,16)/b5-3+,10-9+,11-7+
InChIKey
XUQIFDLHGYJREE-HLTZDAHQSA-N
Compound name
(2E,4E,6E)-11-hydroxy-4-methyldodeca-2,4,6-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

224.14125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 156.6
[M+Na]+ 247.13047 160.8
[M-H]- 223.13397 153.2
[M+NH4]+ 242.17507 173.4
[M+K]+ 263.10441 157.3
[M+H-H2O]+ 207.13851 151.6
[M+HCOO]- 269.13945 173.7
[M+CH3COO]- 283.15510 186.0
[M+Na-2H]- 245.11592 155.2
[M]+ 224.14070 156.0
[M]- 224.14180 156.0
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

No patent data available for this compound.