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

1466
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 142.9
[M+Na]+ 231.03550 152.3
[M-H]- 207.03900 144.1
[M+NH4]+ 226.08010 164.8
[M+K]+ 247.00944 141.3
[M+H-H2O]+ 191.04354 143.3
[M+HCOO]- 253.04448 162.2
[M+CH3COO]- 267.06013 183.2
[M+Na-2H]- 229.02095 149.3
[M]+ 208.04573 162.6
[M]- 208.04683 162.6
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

No patent data available for this compound.