CID 165872370

(4-bromo-2-cyclobutyl-1h-imidazol-5-yl)methanol

Structural Information

Molecular Formula
C8H11BrN2O
SMILES
C1CC(C1)C2=NC(=C(N2)CO)Br
InChI
InChI=1S/C8H11BrN2O/c9-7-6(4-12)10-8(11-7)5-2-1-3-5/h5,12H,1-4H2,(H,10,11)
InChIKey
IICTUOPYDXBKAW-UHFFFAOYSA-N
Compound name
(4-bromo-2-cyclobutyl-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.012756 135.2
[M+Na]+ 252.994698 145.2
[M-H]- 228.998204 139.5
[M+NH4]+ 248.039303 148.9
[M+K]+ 268.968638 136.7
[M+H-H2O]+ 213.002740 130.1
[M+HCOO]- 275.003681 151.8
[M+CH3COO]- 289.019331 184.9
[M+Na-2H]- 250.980146 140.3
[M]+ 230.00493142 158.4
[M]- 230.00602858 158.4
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.