CID 20294881

2-bromopent-4-en-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
C=CCC(CO)Br
InChI
InChI=1S/C5H9BrO/c1-2-3-5(6)4-7/h2,5,7H,1,3-4H2
InChIKey
GWGPDEPSLVJSKP-UHFFFAOYSA-N
Compound name
2-bromopent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 128.1
[M+Na]+ 186.972888 138.9
[M-H]- 162.976394 130.0
[M+NH4]+ 182.017493 151.6
[M+K]+ 202.946828 128.4
[M+H-H2O]+ 146.980930 129.3
[M+HCOO]- 208.981871 147.7
[M+CH3COO]- 222.997521 174.6
[M+Na-2H]- 184.958336 135.0
[M]+ 163.98312142 145.6
[M]- 163.98421858 145.6
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