CID 3079591

2,5-dioxohexahydro-1h-pyrrolo(1,2-a)imidazole-1-acetamide

Structural Information

Molecular Formula
C8H11N3O3
SMILES
C1CC(=O)N2C1N(C(=O)C2)CC(=O)N
InChI
InChI=1S/C8H11N3O3/c9-5(12)3-10-6-1-2-7(13)11(6)4-8(10)14/h6H,1-4H2,(H2,9,12)
InChIKey
ZZMLXWDFRYZBQA-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

197.08005 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 141.5
[M+Na]+ 220.069268 149.5
[M-H]- 196.072774 143.1
[M+NH4]+ 215.113873 162.1
[M+K]+ 236.043208 147.9
[M+H-H2O]+ 180.077310 135.4
[M+HCOO]- 242.078251 161.3
[M+CH3COO]- 256.093901 184.9
[M+Na-2H]- 218.054716 141.7
[M]+ 197.07950142 139.0
[M]- 197.08059858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe