CID 15752575

1-bromo-3,3-dimethylpentane

Structural Information

Molecular Formula
C7H15Br
SMILES
CCC(C)(C)CCBr
InChI
InChI=1S/C7H15Br/c1-4-7(2,3)5-6-8/h4-6H2,1-3H3
InChIKey
GWWATHHONYAKKM-UHFFFAOYSA-N
Compound name
1-bromo-3,3-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

178.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04298 134.5
[M+Na]+ 201.02492 136.5
[M+NH4]+ 196.06952 139.7
[M+K]+ 216.99886 136.4
[M-H]- 177.02842 133.3
[M+Na-2H]- 199.01037 136.3
[M]+ 178.03515 133.3
[M]- 178.03625 133.3
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