CID 12216388

(5-hydroxy-4-oxo-4h-pyran-2-yl)methyl acetate

Structural Information

Molecular Formula
C8H8O5
SMILES
CC(=O)OCC1=CC(=O)C(=CO1)O
InChI
InChI=1S/C8H8O5/c1-5(9)12-3-6-2-7(10)8(11)4-13-6/h2,4,11H,3H2,1H3
InChIKey
MWPFSCIYGNZCJP-UHFFFAOYSA-N
Compound name
(5-hydroxy-4-oxopyran-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.03717 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 132.0
[M+Na]+ 207.026388 141.5
[M-H]- 183.029894 135.9
[M+NH4]+ 202.070993 150.2
[M+K]+ 223.000328 141.9
[M+H-H2O]+ 167.034430 126.5
[M+HCOO]- 229.035371 155.0
[M+CH3COO]- 243.051021 176.9
[M+Na-2H]- 205.011836 138.8
[M]+ 184.03662142 136.2
[M]- 184.03771858 136.2
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

patents stripe