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
1
Annotation Hits

0
References

6
Patents

198.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 136.7
[M+Na]+ 221.04205 145.5
[M-H]- 197.04555 140.6
[M+NH4]+ 216.08665 154.3
[M+K]+ 237.01599 146.2
[M+H-H2O]+ 181.05009 131.2
[M+HCOO]- 243.05103 158.5
[M+CH3COO]- 257.06668 180.9
[M+Na-2H]- 219.02750 141.8
[M]+ 198.05228 140.7
[M]- 198.05338 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