CID 110543

Maltol propionate

Structural Information

Molecular Formula
C9H10O4
SMILES
CCC(=O)OC1=C(OC=CC1=O)C
InChI
InChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3
InChIKey
NBKYPRRBTKRGLE-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxopyran-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

238
Patents

182.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 132.9
[M+Na]+ 205.047118 142.6
[M-H]- 181.050624 138.1
[M+NH4]+ 200.091723 152.1
[M+K]+ 221.021058 143.1
[M+H-H2O]+ 165.055160 127.4
[M+HCOO]- 227.056101 157.0
[M+CH3COO]- 241.071751 180.3
[M+Na-2H]- 203.032566 139.7
[M]+ 182.05735142 138.0
[M]- 182.05844858 138.0
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