CID 12923291

(2r)-1-bromo-3-(tert-butoxy)-2-methylpropane

Structural Information

Molecular Formula
C8H17BrO
SMILES
C[C@H](COC(C)(C)C)CBr
InChI
InChI=1S/C8H17BrO/c1-7(5-9)6-10-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
NCPUKHKDZQPJDD-ZETCQYMHSA-N
Compound name
(2R)-1-bromo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

208.04628 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.053556 143.2
[M+Na]+ 231.035498 153.5
[M-H]- 207.039004 146.3
[M+NH4]+ 226.080103 166.1
[M+K]+ 247.009438 144.1
[M+H-H2O]+ 191.043540 144.3
[M+HCOO]- 253.044481 161.7
[M+CH3COO]- 267.060131 186.2
[M+Na-2H]- 229.020946 149.6
[M]+ 208.04573142 163.7
[M]- 208.04682858 163.7
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

patents stripe