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

16
Patents

206.06702 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.074296 144.7
[M+Na]+ 229.056238 154.9
[M-H]- 205.059744 147.6
[M+NH4]+ 224.100843 167.8
[M+K]+ 245.030178 144.5
[M+H-H2O]+ 189.064280 145.8
[M+HCOO]- 251.065221 163.6
[M+CH3COO]- 265.080871 186.5
[M+Na-2H]- 227.041686 151.7
[M]+ 206.06647142 164.8
[M]- 206.06756858 164.8
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