CID 44147335

Methyl 2,4-dioxopyrrolidine-1-acetate

Structural Information

Molecular Formula
C7H9NO4
SMILES
COC(=O)CN1CC(=O)CC1=O
InChI
InChI=1S/C7H9NO4/c1-12-7(11)4-8-3-5(9)2-6(8)10/h2-4H2,1H3
InChIKey
JPAKDWDSBDWWRK-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dioxopyrrolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.05316 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 132.0
[M+Na]+ 194.042378 140.5
[M-H]- 170.045884 134.5
[M+NH4]+ 189.086983 152.9
[M+K]+ 210.016318 140.3
[M+H-H2O]+ 154.050420 126.5
[M+HCOO]- 216.051361 154.2
[M+CH3COO]- 230.067011 176.7
[M+Na-2H]- 192.027826 134.7
[M]+ 171.05261142 133.3
[M]- 171.05370858 133.3
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.