CID 162437

(7as)-hexahydro-1h-pyrrolo[1,2-c]imidazolidine-1,3-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1C[C@H]2C(=O)NC(=O)N2C1
InChI
InChI=1S/C6H8N2O2/c9-5-4-2-1-3-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)/t4-/m0/s1
InChIKey
CLHGAFMJSNFVRM-BYPYZUCNSA-N
Compound name
(7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

187
Patents

140.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 128.1
[M+Na]+ 163.04780 136.8
[M-H]- 139.05130 128.7
[M+NH4]+ 158.09240 150.9
[M+K]+ 179.02174 134.9
[M+H-H2O]+ 123.05584 122.5
[M+HCOO]- 185.05678 147.3
[M+CH3COO]- 199.07243 168.7
[M+Na-2H]- 161.03325 130.9
[M]+ 140.05803 124.3
[M]- 140.05913 124.3
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