CID 118709

5-bromopentan-1-ol

Structural Information

Molecular Formula
C5H11BrO
SMILES
C(CCO)CCBr
InChI
InChI=1S/C5H11BrO/c6-4-2-1-3-5-7/h7H,1-5H2
InChIKey
WJVQJXVMLRGNGA-UHFFFAOYSA-N
Compound name
5-bromopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2280
Patents

165.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 129.9
[M+Na]+ 188.98855 131.5
[M+NH4]+ 184.03315 134.7
[M+K]+ 204.96249 131.5
[M-H]- 164.99205 128.3
[M+Na-2H]- 186.97400 131.2
[M]+ 165.99878 128.3
[M]- 165.99988 128.3
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