CID 125042010

Ethyl 2-bromo-5-cyclopropyl-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CCOC(=O)C1=C(NC(=N1)Br)C2CC2
InChI
InChI=1S/C9H11BrN2O2/c1-2-14-8(13)7-6(5-3-4-5)11-9(10)12-7/h5H,2-4H2,1H3,(H,11,12)
InChIKey
BJTIMCHBUFOZJM-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5-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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.