CID 4638215

6-bromo-2,2-dimethylhexanenitrile

Structural Information

Molecular Formula
C8H14BrN
SMILES
CC(C)(CCCCBr)C#N
InChI
InChI=1S/C8H14BrN/c1-8(2,7-10)5-3-4-6-9/h3-6H2,1-2H3
InChIKey
BBBNHHFFABZOEK-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethylhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

203.03096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.038236 136.1
[M+Na]+ 226.020178 148.4
[M-H]- 202.023684 138.4
[M+NH4]+ 221.064783 156.9
[M+K]+ 241.994118 138.2
[M+H-H2O]+ 186.028220 130.4
[M+HCOO]- 248.029161 154.6
[M+CH3COO]- 262.044811 196.9
[M+Na-2H]- 224.005626 143.6
[M]+ 203.03041142 149.4
[M]- 203.03150858 149.4
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