CID 66520754

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

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C1COCCC1N2C=C(N=C2)Br
InChI
InChI=1S/C8H11BrN2O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChIKey
GKRHVNPCXXWYJO-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxan-4-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01276 146.9
[M+Na]+ 252.99470 149.5
[M+NH4]+ 248.03930 151.7
[M+K]+ 268.96864 151.1
[M-H]- 228.99820 148.8
[M+Na-2H]- 250.98015 149.6
[M]+ 230.00493 146.5
[M]- 230.00603 146.5
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.