CID 9776835

2-hydroxy-6-oxoocta-2,4-dienoate

Structural Information

Molecular Formula
C8H10O4
SMILES
CCC(=O)/C=C\C=C(/C(=O)O)\O
InChI
InChI=1S/C8H10O4/c1-2-6(9)4-3-5-7(10)8(11)12/h3-5,10H,2H2,1H3,(H,11,12)/b4-3-,7-5+
InChIKey
UYUFTVIQTSWWST-QVXLNCAUSA-N
Compound name
(2E,4Z)-2-hydroxy-6-oxoocta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 136.0
[M+Na]+ 193.047118 142.1
[M-H]- 169.050624 133.4
[M+NH4]+ 188.091723 154.8
[M+K]+ 209.021058 140.4
[M+H-H2O]+ 153.055160 131.6
[M+HCOO]- 215.056101 155.0
[M+CH3COO]- 229.071751 173.6
[M+Na-2H]- 191.032566 137.3
[M]+ 170.05735142 135.1
[M]- 170.05844858 135.1
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

patents stripe