CID 13966984

4-bromo-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C/C(=C\CO)/CBr
InChI
InChI=1S/C5H9BrO/c1-5(4-6)2-3-7/h2,7H,3-4H2,1H3/b5-2+
InChIKey
DSQXMIYNGKOIQC-GORDUTHDSA-N
Compound name
(E)-4-bromo-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 127.9
[M+Na]+ 186.97289 129.3
[M+NH4]+ 182.01749 132.4
[M+K]+ 202.94683 129.9
[M-H]- 162.97639 125.9
[M+Na-2H]- 184.95834 128.9
[M]+ 163.98312 126.1
[M]- 163.98422 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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