CID 3079593

126101-07-3

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

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

InChI

InChI=1S/C7H8N2O4/c10-4-3-9-5(11)1-2-7(9,8-4)6(12)13/h1-3H2,(H,8,10)(H,12,13)

InChIKey

IOUXCPKBPUCKMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 184.0484 Da
Monoisotopic Mass: -1.5
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]+	185.05568	139.0
[M+Na]+	207.03762	145.5
[M+NH4]+	202.08222	145.7
[M+K]+	223.01156	145.1
[M-H]-	183.04112	135.5
[M+Na-2H]-	205.02307	139.7
[M]+	184.04785	138.3
[M]-	184.04895	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe