CID 11346006

Tert-butyl 2-bromo-1-methyl-1h-imidazole-5-carboxylate

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
CC(C)(C)OC(=O)C1=CN=C(N1C)Br
InChI
InChI=1S/C9H13BrN2O2/c1-9(2,3)14-7(13)6-5-11-8(10)12(6)4/h5H,1-4H3
InChIKey
BEGYVUYXYJDDGA-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-3-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.01605 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02333 150.1
[M+Na]+ 283.00527 163.0
[M-H]- 259.00877 154.6
[M+NH4]+ 278.04987 170.5
[M+K]+ 298.97921 153.3
[M+H-H2O]+ 243.01331 149.9
[M+HCOO]- 305.01425 168.7
[M+CH3COO]- 319.02990 191.9
[M+Na-2H]- 280.99072 155.3
[M]+ 260.01550 171.7
[M]- 260.01660 171.7
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

patents stripe