CID 25141049

2-hydroxy-3-methyl-6-oxohepta-2,4-dienoate

Structural Information

Molecular Formula
C8H10O4
SMILES
C/C(=C(/C(=O)O)\O)/C=C\C(=O)C
InChI
InChI=1S/C8H10O4/c1-5(3-4-6(2)9)7(10)8(11)12/h3-4,10H,1-2H3,(H,11,12)/b4-3-,7-5+
InChIKey
KMEHUECHDKPAIO-QVXLNCAUSA-N
Compound name
(2E,4Z)-2-hydroxy-3-methyl-6-oxohepta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 135.7
[M+Na]+ 193.047118 141.7
[M-H]- 169.050624 133.3
[M+NH4]+ 188.091723 154.4
[M+K]+ 209.021058 140.5
[M+H-H2O]+ 153.055160 131.5
[M+HCOO]- 215.056101 153.7
[M+CH3COO]- 229.071751 174.6
[M+Na-2H]- 191.032566 135.8
[M]+ 170.05735142 134.2
[M]- 170.05844858 134.2
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.