CID 3079595

126101-09-5

Structural Information

Molecular Formula

C₇H₉N₃O₃

SMILES

C1CC2(NC(=O)CN2C1=O)C(=O)N

InChI

InChI=1S/C7H9N3O3/c8-6(13)7-2-1-5(12)10(7)3-4(11)9-7/h1-3H2,(H2,8,13)(H,9,11)

InChIKey

YIKZHRIABJQJCR-UHFFFAOYSA-N

Compound name

2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 183.06439 Da
Monoisotopic Mass: -2.2
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]+	184.07167	136.7
[M+Na]+	206.05361	144.9
[M-H]-	182.05711	137.1
[M+NH4]+	201.09821	159.0
[M+K]+	222.02755	142.8
[M+H-H2O]+	166.06165	131.5
[M+HCOO]-	228.06259	155.4
[M+CH3COO]-	242.07824	177.8
[M+Na-2H]-	204.03906	139.0
[M]+	183.06384	132.1
[M]-	183.06494	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe