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
3
Annotation Hits

3
References

1485
Patents

208.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.053556 142.9
[M+Na]+ 231.035498 152.3
[M-H]- 207.039004 144.1
[M+NH4]+ 226.080103 164.8
[M+K]+ 247.009438 141.3
[M+H-H2O]+ 191.043540 143.3
[M+HCOO]- 253.044481 162.2
[M+CH3COO]- 267.060131 183.2
[M+Na-2H]- 229.020946 149.3
[M]+ 208.04573142 162.6
[M]- 208.04682858 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

literature stripe

Patent stripe

patents stripe