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 144.6
[M+Na]+ 237.03696 149.7
[M-H]- 213.04046 140.3
[M+NH4]+ 232.08156 160.4
[M+K]+ 253.01090 147.9
[M+H-H2O]+ 197.04500 139.8
[M+HCOO]- 259.04594 161.3
[M+CH3COO]- 273.06159 178.7
[M+Na-2H]- 235.02241 143.7
[M]+ 214.04719 143.7
[M]- 214.04829 143.7
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