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]+ 223.06922 147.7
[M+Na]+ 245.05116 158.3
[M-H]- 221.05466 150.9
[M+NH4]+ 240.09576 170.3
[M+K]+ 261.02510 148.6
[M+H-H2O]+ 205.05920 149.2
[M+HCOO]- 267.06014 165.4
[M+CH3COO]- 281.07579 188.7
[M+Na-2H]- 243.03661 155.4
[M]+ 222.06139 168.7
[M]- 222.06249 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.