CID 14740944

Schembl15415074

Structural Information

Molecular Formula
C4H7BrO
SMILES
C(CO)/C=C/Br
InChI
InChI=1S/C4H7BrO/c5-3-1-2-4-6/h1,3,6H,2,4H2/b3-1+
InChIKey
HWSVHRDXHIRTMJ-HNQUOIGGSA-N
Compound name
(E)-4-bromobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

149.96803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 124.4
[M+Na]+ 172.95725 126.3
[M+NH4]+ 168.00185 129.2
[M+K]+ 188.93119 126.4
[M-H]- 148.96075 122.7
[M+Na-2H]- 170.94270 125.9
[M]+ 149.96748 122.8
[M]- 149.96858 122.8
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