CID 15752574

1-bromo-4,4-dimethylpentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

178.0357 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe