CID 23457840

1-bromo-5,5-dimethylhexane

Structural Information

Molecular Formula
C8H17Br
SMILES
CC(C)(C)CCCCBr
InChI
InChI=1S/C8H17Br/c1-8(2,3)6-4-5-7-9/h4-7H2,1-3H3
InChIKey
QVJRTJIUPXFNSL-UHFFFAOYSA-N
Compound name
1-bromo-5,5-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

192.05136 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058636 140.0
[M+Na]+ 215.040578 150.6
[M-H]- 191.044084 143.1
[M+NH4]+ 210.085183 163.6
[M+K]+ 231.014518 140.5
[M+H-H2O]+ 175.048620 141.3
[M+HCOO]- 237.049561 159.2
[M+CH3COO]- 251.065211 183.7
[M+Na-2H]- 213.026026 147.6
[M]+ 192.05081142 159.8
[M]- 192.05190858 159.8
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