CID 329856

72651-97-9

Structural Information

Molecular Formula
C11H12O5
SMILES
CC1(OC(=O)C(C(=O)O1)CC2=CC=CO2)C
InChI
InChI=1S/C11H12O5/c1-11(2)15-9(12)8(10(13)16-11)6-7-4-3-5-14-7/h3-5,8H,6H2,1-2H3
InChIKey
ODIYMZNWNQSSBX-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06847 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 143.3
[M+Na]+ 247.05769 152.4
[M-H]- 223.06119 152.5
[M+NH4]+ 242.10229 161.5
[M+K]+ 263.03163 154.5
[M+H-H2O]+ 207.06573 139.0
[M+HCOO]- 269.06667 163.7
[M+CH3COO]- 283.08232 186.5
[M+Na-2H]- 245.04314 149.9
[M]+ 224.06792 147.2
[M]- 224.06902 147.2
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

No patent data available for this compound.