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]+ 211.023706 137.4
[M+Na]+ 233.005648 146.1
[M-H]- 209.009154 139.7
[M+NH4]+ 228.050253 153.4
[M+K]+ 248.979588 145.2
[M+H-H2O]+ 193.013690 131.9
[M+HCOO]- 255.014631 158.1
[M+CH3COO]- 269.030281 179.2
[M+Na-2H]- 230.991096 141.9
[M]+ 210.01588142 139.5
[M]- 210.01697858 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.