CID 14086938

1-bromo-2,4,4-trimethylpentane

Structural Information

Molecular Formula
C8H17Br
SMILES
CC(CC(C)(C)C)CBr
InChI
InChI=1S/C8H17Br/c1-7(6-9)5-8(2,3)4/h7H,5-6H2,1-4H3
InChIKey
RNRARZZEXIZUIJ-UHFFFAOYSA-N
Compound name
1-bromo-2,4,4-trimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05864 137.8
[M+Na]+ 215.04058 139.3
[M+NH4]+ 210.08518 142.8
[M+K]+ 231.01452 139.8
[M-H]- 191.04408 136.4
[M+Na-2H]- 213.02603 139.1
[M]+ 192.05081 136.5
[M]- 192.05191 136.5
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