CID 102514949

2-hydroxy-4-[(1e)-3-oxoprop-1-en-1-yl]-2h-pyran-6-carboxylate

Structural Information

Molecular Formula
C9H8O5
SMILES
C1=C(C=C(OC1O)C(=O)O)/C=C/C=O
InChI
InChI=1S/C9H8O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-5,8,11H,(H,12,13)/b2-1+
InChIKey
RBVIYJGRPOEJCS-OWOJBTEDSA-N
Compound name
2-hydroxy-4-[(E)-3-oxoprop-1-enyl]-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

196.03717 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.044446 137.4
[M+Na]+ 219.026388 145.3
[M-H]- 195.029894 139.4
[M+NH4]+ 214.070993 154.2
[M+K]+ 235.000328 144.1
[M+H-H2O]+ 179.034430 132.1
[M+HCOO]- 241.035371 157.4
[M+CH3COO]- 255.051021 177.0
[M+Na-2H]- 217.011836 142.2
[M]+ 196.03662142 138.0
[M]- 196.03771858 138.0
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.