CID 162437

40856-87-9

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: 151
Patents: 140.05858 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	141.06586	129.0
[M+Na]+	163.04780	137.5
[M+NH4]+	158.09240	136.4
[M+K]+	179.02174	136.9
[M-H]-	139.05130	127.6
[M+Na-2H]-	161.03325	130.3
[M]+	140.05803	129.2
[M]-	140.05913	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe