CID 6480782

5-(benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C13H10O5
SMILES
C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)O
InChI
InChI=1S/C13H10O5/c14-10-6-11(13(15)16)18-8-12(10)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChIKey
RGZZNPNSZZJJSH-UHFFFAOYSA-N
Compound name
4-oxo-5-phenylmethoxypyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

109
Patents

246.05283 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06011 149.4
[M+Na]+ 269.04205 157.9
[M-H]- 245.04555 156.1
[M+NH4]+ 264.08665 164.4
[M+K]+ 285.01599 156.6
[M+H-H2O]+ 229.05009 142.1
[M+HCOO]- 291.05103 172.2
[M+CH3COO]- 305.06668 188.6
[M+Na-2H]- 267.02750 155.9
[M]+ 246.05228 152.9
[M]- 246.05338 152.9
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.