CID 53435061

1-bromo-2,4-dimethylhexane

Structural Information

Molecular Formula
C8H17Br
SMILES
CCC(C)CC(C)CBr
InChI
InChI=1S/C8H17Br/c1-4-7(2)5-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKey
HCXJNTJVVFUDKB-UHFFFAOYSA-N
Compound name
1-bromo-2,4-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05136 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05864 137.0
[M+Na]+ 215.04058 138.4
[M+NH4]+ 210.08518 142.0
[M+K]+ 231.01452 138.5
[M-H]- 191.04408 135.9
[M+Na-2H]- 213.02603 138.0
[M]+ 192.05081 135.6
[M]- 192.05191 135.6
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

No patent data available for this compound.