CID 109454

7-bromo-6-methoxy-2,7-dimethyloctan-1-ol

Structural Information

Molecular Formula
C11H23BrO2
SMILES
CC(CCCC(C(C)(C)Br)OC)CO
InChI
InChI=1S/C11H23BrO2/c1-9(8-13)6-5-7-10(14-4)11(2,3)12/h9-10,13H,5-8H2,1-4H3
InChIKey
DOOYDTPWMJXOPI-UHFFFAOYSA-N
Compound name
7-bromo-6-methoxy-2,7-dimethyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09541 156.9
[M+Na]+ 289.07735 156.2
[M+NH4]+ 284.12195 159.9
[M+K]+ 305.05129 157.8
[M-H]- 265.08085 153.7
[M+Na-2H]- 287.06280 155.6
[M]+ 266.08758 154.5
[M]- 266.08868 154.5
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.