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

122
Patents

164.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.027346 130.5
[M+Na]+ 187.009288 141.8
[M-H]- 163.012794 133.9
[M+NH4]+ 182.053893 155.1
[M+K]+ 202.983228 132.2
[M+H-H2O]+ 147.017330 132.2
[M+HCOO]- 209.018271 150.3
[M+CH3COO]- 223.033921 178.7
[M+Na-2H]- 184.994736 139.2
[M]+ 164.01952142 149.6
[M]- 164.02061858 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