CID 3319749

Methyl 2-(2,5-dioxooxolan-3-yl)acetate

Structural Information

Molecular Formula
C7H8O5
SMILES
COC(=O)CC1CC(=O)OC1=O
InChI
InChI=1S/C7H8O5/c1-11-5(8)2-4-3-6(9)12-7(4)10/h4H,2-3H2,1H3
InChIKey
DYGGXMLRSAQCBC-UHFFFAOYSA-N
Compound name
methyl 2-(2,5-dioxooxolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03717 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.044446 130.1
[M+Na]+ 195.026388 138.5
[M-H]- 171.029894 134.6
[M+NH4]+ 190.070993 150.9
[M+K]+ 211.000328 139.7
[M+H-H2O]+ 155.034430 125.6
[M+HCOO]- 217.035371 152.9
[M+CH3COO]- 231.051021 176.3
[M+Na-2H]- 193.011836 134.0
[M]+ 172.03662142 132.9
[M]- 172.03771858 132.9
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