CID 58223256

3-bromo-2,2-dimethylbutane

Structural Information

Molecular Formula
C6H13Br
SMILES
CC(C(C)(C)C)Br
InChI
InChI=1S/C6H13Br/c1-5(7)6(2,3)4/h5H,1-4H3
InChIKey
DGTGXWOFOTZORM-UHFFFAOYSA-N
Compound name
3-bromo-2,2-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

164.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02735 128.9
[M+Na]+ 187.00929 130.7
[M+NH4]+ 182.05389 134.1
[M+K]+ 202.98323 131.7
[M-H]- 163.01279 127.5
[M+Na-2H]- 184.99474 130.7
[M]+ 164.01952 127.6
[M]- 164.02062 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe