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]+ 181.02226 133.2
[M+Na]+ 203.00420 134.9
[M+NH4]+ 198.04880 138.1
[M+K]+ 218.97814 135.5
[M-H]- 179.00770 131.6
[M+Na-2H]- 200.98965 134.8
[M]+ 180.01443 131.8
[M]- 180.01553 131.8
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