CID 10855838

1-bromo-2,2-dimethylbutane

Structural Information

Molecular Formula
C6H13Br
SMILES
CCC(C)(C)CBr
InChI
InChI=1S/C6H13Br/c1-4-6(2,3)5-7/h4-5H2,1-3H3
InChIKey
YEAAJBCWOAEKNF-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
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 130.5
[M+Na]+ 187.00929 141.8
[M-H]- 163.01279 133.9
[M+NH4]+ 182.05389 155.1
[M+K]+ 202.98323 132.2
[M+H-H2O]+ 147.01733 132.2
[M+HCOO]- 209.01827 150.3
[M+CH3COO]- 223.03392 178.7
[M+Na-2H]- 184.99474 139.2
[M]+ 164.01952 149.6
[M]- 164.02062 149.6
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