CID 534876

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

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC(=C(CO)Br)C
InChI
InChI=1S/C5H9BrO/c1-4(2)5(6)3-7/h7H,3H2,1-2H3
InChIKey
MGCRAWYWIQETDF-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 126.8
[M+Na]+ 186.97289 127.9
[M+NH4]+ 182.01749 131.2
[M+K]+ 202.94683 129.3
[M-H]- 162.97639 124.6
[M+Na-2H]- 184.95834 127.5
[M]+ 163.98312 124.9
[M]- 163.98422 124.9
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

patents stripe