CID 6371571

3-bromo-2-methyl-2-propen-1-ol

Structural Information

Molecular Formula
C4H7BrO
SMILES
C/C(=C\Br)/CO
InChI
InChI=1S/C4H7BrO/c1-4(2-5)3-6/h2,6H,3H2,1H3/b4-2+
InChIKey
VFZCSFMDONRPQB-DUXPYHPUSA-N
Compound name
(E)-3-bromo-2-methylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

149.96803 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.7
[M+Na]+ 172.95725 134.9
[M-H]- 148.96075 125.8
[M+NH4]+ 168.00185 147.7
[M+K]+ 188.93119 124.7
[M+H-H2O]+ 132.96529 125.1
[M+HCOO]- 194.96623 143.6
[M+CH3COO]- 208.98188 171.1
[M+Na-2H]- 170.94270 131.1
[M]+ 149.96748 140.7
[M]- 149.96858 140.7
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

patents stripe