CID 82126100

2-bromo-1-(tert-butyl)-1h-imidazole

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC(C)(C)N1C=CN=C1Br
InChI
InChI=1S/C7H11BrN2/c1-7(2,3)10-5-4-9-6(10)8/h4-5H,1-3H3
InChIKey
HKCJLALMPXXSBL-UHFFFAOYSA-N
Compound name
2-bromo-1-tert-butylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.01056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 137.4
[M+Na]+ 224.99978 150.6
[M-H]- 201.00328 141.9
[M+NH4]+ 220.04438 160.0
[M+K]+ 240.97372 140.7
[M+H-H2O]+ 185.00782 137.6
[M+HCOO]- 247.00876 157.1
[M+CH3COO]- 261.02441 182.3
[M+Na-2H]- 222.98523 145.3
[M]+ 202.01001 156.8
[M]- 202.01111 156.8
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