CID 5280696

2-hydroxy-6-oxo-7-methylocta-2,4-dienoate

Structural Information

Molecular Formula
C9H12O4
SMILES
CC(C)C(=O)/C=C/C=C(/C(=O)O)\O
InChI
InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3+,8-5-
InChIKey
OEUMAONYVQQDBW-LHOHZTISSA-N
Compound name
(2Z,4E)-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

184.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 140.4
[M+Na]+ 207.06278 145.9
[M-H]- 183.06628 137.8
[M+NH4]+ 202.10738 158.6
[M+K]+ 223.03672 144.5
[M+H-H2O]+ 167.07082 136.0
[M+HCOO]- 229.07176 158.1
[M+CH3COO]- 243.08741 177.6
[M+Na-2H]- 205.04823 140.0
[M]+ 184.07301 139.3
[M]- 184.07411 139.3
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.