CID 165491447

En300-1159788

Structural Information

Molecular Formula
C8H13BrN2O
SMILES
CC(C)(C)C1=NC(=C(N1)CO)Br
InChI
InChI=1S/C8H13BrN2O/c1-8(2,3)7-10-5(4-12)6(9)11-7/h12H,4H2,1-3H3,(H,10,11)
InChIKey
YBTKOFMSKZWHCT-UHFFFAOYSA-N
Compound name
(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02113 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02841 150.8
[M+Na]+ 255.01035 152.0
[M+NH4]+ 250.05495 153.9
[M+K]+ 270.98429 154.8
[M-H]- 231.01385 148.2
[M+Na-2H]- 252.99580 151.2
[M]+ 232.02058 148.9
[M]- 232.02168 148.9
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.