CID 171118565

7s-hydroxy-2,4-dimethyl-2e,4e-octadienoic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
C[C@@H](C/C=C(\C)/C=C(\C)/C(=O)O)O
InChI
InChI=1S/C10H16O3/c1-7(4-5-9(3)11)6-8(2)10(12)13/h4,6,9,11H,5H2,1-3H3,(H,12,13)/b7-4+,8-6+/t9-/m0/s1
InChIKey
HQOOQTRMQYVQDW-XDRIWWAASA-N
Compound name
(2E,4E,7S)-7-hydroxy-2,4-dimethylocta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 144.1
[M+Na]+ 207.09916 149.0
[M-H]- 183.10266 141.3
[M+NH4]+ 202.14376 162.4
[M+K]+ 223.07310 147.4
[M+H-H2O]+ 167.10720 139.6
[M+HCOO]- 229.10814 160.9
[M+CH3COO]- 243.12379 179.4
[M+Na-2H]- 205.08461 143.0
[M]+ 184.10939 142.5
[M]- 184.11049 142.5
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.