CID 22147996

623577-60-6

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CC(C)N1C=C(N=C1)Br
InChI
InChI=1S/C6H9BrN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChIKey
FUKIENGJPGMFBT-UHFFFAOYSA-N
Compound name
4-bromo-1-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

187.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.002176 131.8
[M+Na]+ 210.984118 144.6
[M-H]- 186.987624 136.0
[M+NH4]+ 206.028723 154.6
[M+K]+ 226.958058 135.0
[M+H-H2O]+ 170.992160 131.5
[M+HCOO]- 232.993101 152.3
[M+CH3COO]- 247.008751 180.6
[M+Na-2H]- 208.969566 138.5
[M]+ 187.99435142 150.7
[M]- 187.99544858 150.7
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