CID 139026856

2361634-58-2

Structural Information

Molecular Formula

C₉H₁₁BrN₂O₂

SMILES

CCOC(=O)C1=C(NC(=N1)C2CC2)Br

InChI

InChI=1S/C9H11BrN2O2/c1-2-14-9(13)6-7(10)12-8(11-6)5-3-4-5/h5H,2-4H2,1H3,(H,11,12)

InChIKey

XMFCNVDRQVETOF-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-2-cyclopropyl-1H-imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0004 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]+	259.007676	152.7
[M+Na]+	280.989618	166.5
[M-H]-	256.993124	159.3
[M+NH4]+	276.034223	167.6
[M+K]+	296.963558	154.0
[M+H-H2O]+	240.997660	151.5
[M+HCOO]-	302.998601	171.7
[M+CH3COO]-	317.014251	191.4
[M+Na-2H]-	278.975066	156.6
[M]+	257.99985142	173.3
[M]-	258.00094858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.