CID 84029386

1784400-97-0

Structural Information

Molecular Formula

C₇H₇BrN₂O₂

SMILES

C1CC2=NC(=C(N2C1)C(=O)O)Br

InChI

InChI=1S/C7H7BrN2O2/c8-6-5(7(11)12)10-3-1-2-4(10)9-6/h1-3H2,(H,11,12)

InChIKey

KKXWEZIFEKIZOD-UHFFFAOYSA-N

Compound name

2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.96909 Da
Monoisotopic Mass: 1.3
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]+	230.97637	143.3
[M+Na]+	252.95831	156.2
[M-H]-	228.96181	147.5
[M+NH4]+	248.00291	166.3
[M+K]+	268.93225	146.2
[M+H-H2O]+	212.96635	143.6
[M+HCOO]-	274.96729	161.9
[M+CH3COO]-	288.98294	183.1
[M+Na-2H]-	250.94376	147.5
[M]+	229.96854	161.4
[M]-	229.96964	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe