CID 109454

2,7-dimethyl-6-methoxy-7-bromooctanol

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
2
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]+ 267.095406 161.1
[M+Na]+ 289.077348 169.2
[M-H]- 265.080854 162.1
[M+NH4]+ 284.121953 180.7
[M+K]+ 305.051288 158.9
[M+H-H2O]+ 249.085390 161.3
[M+HCOO]- 311.086331 176.3
[M+CH3COO]- 325.101981 195.2
[M+Na-2H]- 287.062796 164.0
[M]+ 266.08758142 181.4
[M]- 266.08867858 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.