CID 162607

8-bromo-1-octanol

Structural Information

Molecular Formula
C8H17BrO
SMILES
C(CCCCBr)CCCO
InChI
InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey
GMXIEASXPUEOTG-UHFFFAOYSA-N
Compound name
8-bromooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1460
Patents

208.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05356 143.3
[M+Na]+ 231.03550 144.4
[M+NH4]+ 226.08010 147.7
[M+K]+ 247.00944 143.6
[M-H]- 207.03900 141.6
[M+Na-2H]- 229.02095 143.8
[M]+ 208.04573 141.7
[M]- 208.04683 141.7
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