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]+ 164.99095 128.1
[M+Na]+ 186.97289 138.9
[M-H]- 162.97639 130.0
[M+NH4]+ 182.01749 151.6
[M+K]+ 202.94683 128.4
[M+H-H2O]+ 146.98093 129.3
[M+HCOO]- 208.98187 147.7
[M+CH3COO]- 222.99752 174.6
[M+Na-2H]- 184.95834 135.0
[M]+ 163.98312 145.6
[M]- 163.98422 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