CID 9543133

2-hydroxy-6-keto-nona-2,4-dienedioate

Structural Information

Molecular Formula
C9H10O6
SMILES
C(CC(=O)O)C(=O)/C=C\C=C(/C(=O)O)\O
InChI
InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)/b2-1-,7-3+
InChIKey
RFENOVFRMPRRJI-AFCKVHGPSA-N
Compound name
(2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

22
Patents

214.04774 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05502 147.0
[M+Na]+ 237.03696 152.3
[M+NH4]+ 232.08156 149.4
[M+K]+ 253.01090 151.6
[M-H]- 213.04046 140.5
[M+Na-2H]- 235.02241 144.6
[M]+ 214.04719 144.9
[M]- 214.04829 144.9
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