CID 44256500

8-hydroxy-4,8-dimethyl-4e,9-decadienoic acid

Structural Information

Molecular Formula
C12H20O3
SMILES
C/C(=C\CCC(C)(C=C)O)/CCC(=O)O
InChI
InChI=1S/C12H20O3/c1-4-12(3,15)9-5-6-10(2)7-8-11(13)14/h4,6,15H,1,5,7-9H2,2-3H3,(H,13,14)/b10-6+
InChIKey
ZNKKFXWQFBPBCX-UXBLZVDNSA-N
Compound name
(4E)-8-hydroxy-4,8-dimethyldeca-4,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 152.1
[M+Na]+ 235.13047 156.9
[M-H]- 211.13397 149.0
[M+NH4]+ 230.17507 169.5
[M+K]+ 251.10441 154.3
[M+H-H2O]+ 195.13851 147.8
[M+HCOO]- 257.13945 168.7
[M+CH3COO]- 271.15510 184.5
[M+Na-2H]- 233.11592 153.3
[M]+ 212.14070 152.2
[M]- 212.14180 152.2
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.