CID 106920

Maltol lactate

Structural Information

Molecular Formula
C9H10O5
SMILES
CC1=C(C(=O)C=CO1)OC(=O)C(C)O
InChI
InChI=1S/C9H10O5/c1-5(10)9(12)14-8-6(2)13-4-3-7(8)11/h3-5,10H,1-2H3
InChIKey
MDIWGYQROJRXEW-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxopyran-3-yl) 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

198.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 136.7
[M+Na]+ 221.042048 145.5
[M-H]- 197.045554 140.6
[M+NH4]+ 216.086653 154.3
[M+K]+ 237.015988 146.2
[M+H-H2O]+ 181.050090 131.2
[M+HCOO]- 243.051031 158.5
[M+CH3COO]- 257.066681 180.9
[M+Na-2H]- 219.027496 141.8
[M]+ 198.05228142 140.7
[M]- 198.05337858 140.7
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