CID 109454

68527-73-1

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 161.1
[M+Na]+ 289.07735 169.2
[M-H]- 265.08085 162.1
[M+NH4]+ 284.12195 180.7
[M+K]+ 305.05129 158.9
[M+H-H2O]+ 249.08539 161.3
[M+HCOO]- 311.08633 176.3
[M+CH3COO]- 325.10198 195.2
[M+Na-2H]- 287.06280 164.0
[M]+ 266.08758 181.4
[M]- 266.08868 181.4
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.