CID 14713916

3-bromo-2,2-dimethylpropanenitrile

Structural Information

Molecular Formula
C5H8BrN
SMILES
CC(C)(CBr)C#N
InChI
InChI=1S/C5H8BrN/c1-5(2,3-6)4-7/h3H2,1-2H3
InChIKey
OEDWIKDEEXZWAU-UHFFFAOYSA-N
Compound name
3-bromo-2,2-dimethylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99129 124.0
[M+Na]+ 183.97323 137.3
[M-H]- 159.97673 126.8
[M+NH4]+ 179.01783 146.2
[M+K]+ 199.94717 127.9
[M+H-H2O]+ 143.98127 118.8
[M+HCOO]- 205.98221 143.3
[M+CH3COO]- 219.99786 189.3
[M+Na-2H]- 181.95868 132.9
[M]+ 160.98346 136.3
[M]- 160.98456 136.3
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