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

173
Patents

187.04807 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.055346 134.4
[M+Na]+ 210.037288 142.6
[M-H]- 186.040794 136.8
[M+NH4]+ 205.081893 154.5
[M+K]+ 226.011228 143.0
[M+H-H2O]+ 170.045330 128.7
[M+HCOO]- 232.046271 156.8
[M+CH3COO]- 246.061921 178.9
[M+Na-2H]- 208.022736 137.1
[M]+ 187.04752142 137.1
[M]- 187.04861858 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