CID 102515344

Arabidopate

Structural Information

Molecular Formula
C9H6O6
SMILES
C1=C(C=C(OC1=O)C(=O)O)/C=C/C(=O)O
InChI
InChI=1S/C9H6O6/c10-7(11)2-1-5-3-6(9(13)14)15-8(12)4-5/h1-4H,(H,10,11)(H,13,14)/b2-1+
InChIKey
QIUPXFMYYHJWSC-OWOJBTEDSA-N
Compound name
4-[(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

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02371 137.4
[M+Na]+ 233.00565 146.1
[M-H]- 209.00915 139.7
[M+NH4]+ 228.05025 153.4
[M+K]+ 248.97959 145.2
[M+H-H2O]+ 193.01369 131.9
[M+HCOO]- 255.01463 158.1
[M+CH3COO]- 269.03028 179.2
[M+Na-2H]- 230.99110 141.9
[M]+ 210.01588 139.5
[M]- 210.01698 139.5
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.