CID 12742279

4-bromo-1-methyl-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
CN1C=C(N=C1C=O)Br
InChI
InChI=1S/C5H5BrN2O/c1-8-2-4(6)7-5(8)3-9/h2-3H,1H3
InChIKey
AKEVNYPMPMIJPW-UHFFFAOYSA-N
Compound name
4-bromo-1-methylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

187.95853 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 135.0
[M+Na]+ 210.94775 138.0
[M+NH4]+ 205.99235 139.2
[M+K]+ 226.92169 139.9
[M-H]- 186.95125 133.7
[M+Na-2H]- 208.93320 137.3
[M]+ 187.95798 133.7
[M]- 187.95908 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe