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

2
Patents

170.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 136.0
[M+Na]+ 193.04712 142.1
[M-H]- 169.05062 133.4
[M+NH4]+ 188.09172 154.8
[M+K]+ 209.02106 140.4
[M+H-H2O]+ 153.05516 131.6
[M+HCOO]- 215.05610 155.0
[M+CH3COO]- 229.07175 173.6
[M+Na-2H]- 191.03257 137.3
[M]+ 170.05735 135.1
[M]- 170.05845 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