CID 165872370

En300-1159792

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]+ 231.01276 135.2
[M+Na]+ 252.99470 145.2
[M-H]- 228.99820 139.5
[M+NH4]+ 248.03930 148.9
[M+K]+ 268.96864 136.7
[M+H-H2O]+ 213.00274 130.1
[M+HCOO]- 275.00368 151.8
[M+CH3COO]- 289.01933 184.9
[M+Na-2H]- 250.98015 140.3
[M]+ 230.00493 158.4
[M]- 230.00603 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.