CID 53435063

1-bromo-6,6-dimethylheptane

Structural Information

Molecular Formula
C9H19Br
SMILES
CC(C)(C)CCCCCBr
InChI
InChI=1S/C9H19Br/c1-9(2,3)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKey
ZUFVFHCSIZGUDV-UHFFFAOYSA-N
Compound name
1-bromo-6,6-dimethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.06702 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07430 143.5
[M+Na]+ 229.05624 145.1
[M+NH4]+ 224.10084 148.4
[M+K]+ 245.03018 144.5
[M-H]- 205.05974 142.2
[M+Na-2H]- 227.04169 144.7
[M]+ 206.06647 142.2
[M]- 206.06757 142.2
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

patents stripe