CID 102515160

Arabidopaldehyde

Structural Information

Molecular Formula
C9H6O5
SMILES
C1=C(C=C(OC1=O)C(=O)O)/C=C/C=O
InChI
InChI=1S/C9H6O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-5H,(H,12,13)/b2-1+
InChIKey
IQBFGXJTTIFUFR-OWOJBTEDSA-N
Compound name
6-oxo-4-[(E)-3-oxoprop-1-enyl]pyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

194.02153 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02881 136.8
[M+Na]+ 217.01075 148.8
[M+NH4]+ 212.05535 142.4
[M+K]+ 232.98469 144.8
[M-H]- 193.01425 137.3
[M+Na-2H]- 214.99620 140.9
[M]+ 194.02098 138.3
[M]- 194.02208 138.3
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.