CID 5280595

(z)-5-oxohex-2-enedioate

Structural Information

Molecular Formula
C6H6O5
SMILES
C(/C=C\C(=O)O)C(=O)C(=O)O
InChI
InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1-
InChIKey
OOEDHTCVMHDXRH-IWQZZHSRSA-N
Compound name
(Z)-5-oxohex-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

158.02153 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 131.7
[M+Na]+ 181.01075 138.9
[M+NH4]+ 176.05535 136.0
[M+K]+ 196.98469 137.4
[M-H]- 157.01425 126.9
[M+Na-2H]- 178.99620 131.6
[M]+ 158.02098 130.6
[M]- 158.02208 130.6
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