CID 10352427

2,5-dioxopyrrolidin-1-yl 2-methoxyacetate

Structural Information

Molecular Formula
C7H9NO5
SMILES
COCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C7H9NO5/c1-12-4-7(11)13-8-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKey
KDVRYSGGAUUSIE-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

187.04807 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 134.4
[M+Na]+ 210.03729 142.6
[M-H]- 186.04079 136.8
[M+NH4]+ 205.08189 154.5
[M+K]+ 226.01123 143.0
[M+H-H2O]+ 170.04533 128.7
[M+HCOO]- 232.04627 156.8
[M+CH3COO]- 246.06192 178.9
[M+Na-2H]- 208.02274 137.1
[M]+ 187.04752 137.1
[M]- 187.04862 137.1
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