CID 120048

Maltol acetate

Structural Information

Molecular Formula
C8H8O4
SMILES
CC1=C(C(=O)C=CO1)OC(=O)C
InChI
InChI=1S/C8H8O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-4H,1-2H3
InChIKey
NRQULFRLDJKNGP-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxopyran-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.1
[M+Na]+ 191.03147 143.3
[M+NH4]+ 186.07607 137.5
[M+K]+ 207.00541 138.9
[M-H]- 167.03497 132.2
[M+Na-2H]- 189.01692 135.9
[M]+ 168.04170 132.5
[M]- 168.04280 132.5
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

patents stripe