CID 10443614

11-hydroxy-4-methyl-2e,4e,6e-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

3
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

literature stripe

Patent stripe

patents stripe