CID 117259156

4-bromo-2-(oxan-4-yl)-1h-imidazole

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C1COCCC1C2=NC=C(N2)Br
InChI
InChI=1S/C8H11BrN2O/c9-7-5-10-8(11-7)6-1-3-12-4-2-6/h5-6H,1-4H2,(H,10,11)
InChIKey
XWEHOHBBHYNCSE-UHFFFAOYSA-N
Compound name
5-bromo-2-(oxan-4-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.012756 144.0
[M+Na]+ 252.994698 153.8
[M-H]- 228.998204 149.5
[M+NH4]+ 248.039303 162.7
[M+K]+ 268.968638 144.1
[M+H-H2O]+ 213.002740 143.2
[M+HCOO]- 275.003681 160.0
[M+CH3COO]- 289.019331 157.7
[M+Na-2H]- 250.980146 150.0
[M]+ 230.00493142 158.1
[M]- 230.00602858 158.1
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.