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

18
Patents

192.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058636 140.2
[M+Na]+ 215.040578 150.6
[M-H]- 191.044084 143.4
[M+NH4]+ 210.085183 163.8
[M+K]+ 231.014518 140.8
[M+H-H2O]+ 175.048620 141.6
[M+HCOO]- 237.049561 158.5
[M+CH3COO]- 251.065211 184.4
[M+Na-2H]- 213.026026 146.6
[M]+ 192.05081142 159.4
[M]- 192.05190858 159.4
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