CID 134264993

1-(4-bromo-1,2-dimethyl-1h-imidazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
CC1=NC(=C(N1C)C(=O)C)Br
InChI
InChI=1S/C7H9BrN2O/c1-4(11)6-7(8)9-5(2)10(6)3/h1-3H3
InChIKey
LLFPESBEHHNQOP-UHFFFAOYSA-N
Compound name
1-(5-bromo-2,3-dimethylimidazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.98982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 136.0
[M+Na]+ 238.97904 150.3
[M-H]- 214.98254 140.9
[M+NH4]+ 234.02364 158.2
[M+K]+ 254.95298 140.2
[M+H-H2O]+ 198.98708 135.9
[M+HCOO]- 260.98802 156.6
[M+CH3COO]- 275.00367 186.5
[M+Na-2H]- 236.96449 141.0
[M]+ 215.98927 156.7
[M]- 215.99037 156.7
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

No patent data available for this compound.