CID 6474163

5,6-epoxy-4-oxo-2-heptene-dioic acid

Structural Information

Molecular Formula
C7H6O6
SMILES
C(=C/C(=O)O)\C(=O)C1C(O1)C(=O)O
InChI
InChI=1S/C7H6O6/c8-3(1-2-4(9)10)5-6(13-5)7(11)12/h1-2,5-6H,(H,9,10)(H,11,12)/b2-1+
InChIKey
WZAZWDZLMMHPAG-OWOJBTEDSA-N
Compound name
3-[(E)-3-carboxyprop-2-enoyl]oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.01643 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02371 134.0
[M+Na]+ 209.00565 143.2
[M-H]- 185.00915 137.1
[M+NH4]+ 204.05025 146.2
[M+K]+ 224.97959 141.5
[M+H-H2O]+ 169.01369 128.7
[M+HCOO]- 231.01463 152.9
[M+CH3COO]- 245.03028 179.2
[M+Na-2H]- 206.99110 137.2
[M]+ 186.01588 138.4
[M]- 186.01698 138.4
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

No patent data available for this compound.