CID 14472849

32856-59-0

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC=C(C=C1)C2CC(=O)OC2=O
InChI
InChI=1S/C11H10O4/c1-14-8-4-2-7(3-5-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3
InChIKey
GPNZEDFJEGABFE-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.0579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.5
[M+Na]+ 229.04712 148.5
[M-H]- 205.05062 147.5
[M+NH4]+ 224.09172 159.1
[M+K]+ 245.02106 147.9
[M+H-H2O]+ 189.05516 133.9
[M+HCOO]- 251.05610 163.2
[M+CH3COO]- 265.07175 183.6
[M+Na-2H]- 227.03257 143.9
[M]+ 206.05735 141.7
[M]- 206.05845 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe