CID 59145172

1204228-25-0

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC1=NC=C(N1C(C)C)Br
InChI
InChI=1S/C7H11BrN2/c1-5(2)10-6(3)9-4-7(10)8/h4-5H,1-3H3
InChIKey
OSYGAWQBSPUSCP-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

202.01056 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 135.7
[M+Na]+ 224.99978 149.0
[M-H]- 201.00328 140.2
[M+NH4]+ 220.04438 158.3
[M+K]+ 240.97372 139.0
[M+H-H2O]+ 185.00782 135.5
[M+HCOO]- 247.00876 155.9
[M+CH3COO]- 261.02441 184.4
[M+Na-2H]- 222.98523 141.2
[M]+ 202.01001 155.3
[M]- 202.01111 155.3
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

patents stripe