CID 12193483

1-bromo-9-(tert-butoxy)nonane

Structural Information

Molecular Formula
C13H27BrO
SMILES
CC(C)(C)OCCCCCCCCCBr
InChI
InChI=1S/C13H27BrO/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h4-12H2,1-3H3
InChIKey
BYTQENDAYWJCOV-UHFFFAOYSA-N
Compound name
1-bromo-9-[(2-methylpropan-2-yl)oxy]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12454 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13182 166.1
[M+Na]+ 301.11376 174.7
[M-H]- 277.11726 168.2
[M+NH4]+ 296.15836 186.4
[M+K]+ 317.08770 163.6
[M+H-H2O]+ 261.12180 166.1
[M+HCOO]- 323.12274 183.9
[M+CH3COO]- 337.13839 199.5
[M+Na-2H]- 299.09921 170.9
[M]+ 278.12399 189.0
[M]- 278.12509 189.0
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.