CID 177798791

2-bromo-1-(tert-butoxy)propane

Structural Information

Molecular Formula
C7H15BrO
SMILES
CC(COC(C)(C)C)Br
InChI
InChI=1S/C7H15BrO/c1-6(8)5-9-7(2,3)4/h6H,5H2,1-4H3
InChIKey
KBNGDAFQBREGPQ-UHFFFAOYSA-N
Compound name
2-(2-bromopropoxy)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03790 138.5
[M+Na]+ 217.01984 149.2
[M-H]- 193.02334 141.8
[M+NH4]+ 212.06444 161.9
[M+K]+ 232.99378 140.1
[M+H-H2O]+ 177.02788 139.8
[M+HCOO]- 239.02882 157.3
[M+CH3COO]- 253.04447 183.3
[M+Na-2H]- 215.00529 145.4
[M]+ 194.03007 158.6
[M]- 194.03117 158.6
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.