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]+ 216.997096 136.0
[M+Na]+ 238.979038 150.3
[M-H]- 214.982544 140.9
[M+NH4]+ 234.023643 158.2
[M+K]+ 254.952978 140.2
[M+H-H2O]+ 198.987080 135.9
[M+HCOO]- 260.988021 156.6
[M+CH3COO]- 275.003671 186.5
[M+Na-2H]- 236.964486 141.0
[M]+ 215.98927142 156.7
[M]- 215.99036858 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

patents stripe