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 146.7
[M+Na]+ 255.01035 159.1
[M-H]- 231.01385 148.5
[M+NH4]+ 250.05495 166.8
[M+K]+ 270.98429 147.4
[M+H-H2O]+ 215.01839 146.8
[M+HCOO]- 277.01933 163.1
[M+CH3COO]- 291.03498 183.1
[M+Na-2H]- 252.99580 152.2
[M]+ 232.02058 164.3
[M]- 232.02168 164.3
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.