CID 6371571

(e)-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

7
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 123.4
[M+Na]+ 172.95725 125.0
[M+NH4]+ 168.00185 128.0
[M+K]+ 188.93119 125.9
[M-H]- 148.96075 121.5
[M+Na-2H]- 170.94270 124.7
[M]+ 149.96748 121.7
[M]- 149.96858 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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