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]+ 173.04445 133.4
[M+Na]+ 195.02639 142.4
[M+NH4]+ 190.07099 139.5
[M+K]+ 211.00033 141.4
[M-H]- 171.02989 133.4
[M+Na-2H]- 193.01184 135.0
[M]+ 172.03662 134.2
[M]- 172.03772 134.2
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.