CID 64994745

1-bromo-3-(tert-butoxy)-2,2-dimethylpropane

Structural Information

Molecular Formula
C9H19BrO
SMILES
CC(C)(C)OCC(C)(C)CBr
InChI
InChI=1S/C9H19BrO/c1-8(2,3)11-7-9(4,5)6-10/h6-7H2,1-5H3
InChIKey
HWFVQZBNAVUXCI-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.069216 147.7
[M+Na]+ 245.051158 158.3
[M-H]- 221.054664 150.9
[M+NH4]+ 240.095763 170.3
[M+K]+ 261.025098 148.6
[M+H-H2O]+ 205.059200 149.2
[M+HCOO]- 267.060141 165.4
[M+CH3COO]- 281.075791 188.7
[M+Na-2H]- 243.036606 155.4
[M]+ 222.06139142 168.7
[M]- 222.06248858 168.7
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.