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

15
Patents

208.04628 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05356 143.2
[M+Na]+ 231.03550 153.5
[M-H]- 207.03900 146.3
[M+NH4]+ 226.08010 166.1
[M+K]+ 247.00944 144.1
[M+H-H2O]+ 191.04354 144.3
[M+HCOO]- 253.04448 161.7
[M+CH3COO]- 267.06013 186.2
[M+Na-2H]- 229.02095 149.6
[M]+ 208.04573 163.7
[M]- 208.04683 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