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]+ 197.04445 139.4
[M+Na]+ 219.02639 149.9
[M+NH4]+ 214.07099 144.9
[M+K]+ 235.00033 146.5
[M-H]- 195.02989 139.4
[M+Na-2H]- 217.01184 142.1
[M]+ 196.03662 140.5
[M]- 196.03772 140.5
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.