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

251
Patents

182.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 132.9
[M+Na]+ 205.04712 142.6
[M-H]- 181.05062 138.1
[M+NH4]+ 200.09172 152.1
[M+K]+ 221.02106 143.1
[M+H-H2O]+ 165.05516 127.4
[M+HCOO]- 227.05610 157.0
[M+CH3COO]- 241.07175 180.3
[M+Na-2H]- 203.03257 139.7
[M]+ 182.05735 138.0
[M]- 182.05845 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