CID 102515466

Iso-arabidopate

Structural Information

Molecular Formula
C9H6O6
SMILES
C1=C(C(=O)OC(=C1)C(=O)O)/C=C/C(=O)O
InChI
InChI=1S/C9H6O6/c10-7(11)4-2-5-1-3-6(8(12)13)15-9(5)14/h1-4H,(H,10,11)(H,12,13)/b4-2+
InChIKey
VVFYEUKYTLSHRZ-DUXPYHPUSA-N
Compound name
5-[(E)-2-carboxyethenyl]-6-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

210.01643 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02371 140.3
[M+Na]+ 233.00565 150.9
[M+NH4]+ 228.05025 144.8
[M+K]+ 248.97959 148.6
[M-H]- 209.00915 139.5
[M+Na-2H]- 230.99110 142.9
[M]+ 210.01588 141.1
[M]- 210.01698 141.1
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

No patent data available for this compound.