CID 64995448

1-bromo-3-methoxy-2,2-dimethylpropane

Structural Information

Molecular Formula
C6H13BrO
SMILES
CC(C)(COC)CBr
InChI
InChI=1S/C6H13BrO/c1-6(2,4-7)5-8-3/h4-5H2,1-3H3
InChIKey
ZCRTXYSRGBYQMD-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.022256 133.5
[M+Na]+ 203.004198 144.7
[M-H]- 179.007704 136.8
[M+NH4]+ 198.048803 157.4
[M+K]+ 218.978138 135.4
[M+H-H2O]+ 163.012240 134.9
[M+HCOO]- 225.013181 153.5
[M+CH3COO]- 239.028831 180.4
[M+Na-2H]- 200.989646 142.1
[M]+ 180.01443142 154.0
[M]- 180.01552858 154.0
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