CID 102515434

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

Structural Information

Molecular Formula
C9H8O5
SMILES
C1=C(C(OC(=C1)C(=O)O)O)/C=C/C=O
InChI
InChI=1S/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-5,9,13H,(H,11,12)/b2-1+
InChIKey
WSDRCWZBOIXKPF-OWOJBTEDSA-N
Compound name
2-hydroxy-3-[(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 137.4
[M+Na]+ 219.02639 145.3
[M-H]- 195.02989 139.4
[M+NH4]+ 214.07099 154.2
[M+K]+ 235.00033 144.1
[M+H-H2O]+ 179.03443 132.1
[M+HCOO]- 241.03537 157.4
[M+CH3COO]- 255.05102 177.0
[M+Na-2H]- 217.01184 142.2
[M]+ 196.03662 138.0
[M]- 196.03772 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.