CID 58488452

2-(bromomethyl)butanenitrile

Structural Information

Molecular Formula
C5H8BrN
SMILES
CCC(CBr)C#N
InChI
InChI=1S/C5H8BrN/c1-2-5(3-6)4-7/h5H,2-3H2,1H3
InChIKey
MYGHSIUWISNFEI-UHFFFAOYSA-N
Compound name
2-(bromomethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 127.3
[M+Na]+ 183.97323 129.8
[M+NH4]+ 179.01783 129.7
[M+K]+ 199.94717 127.1
[M-H]- 159.97673 120.4
[M+Na-2H]- 181.95868 127.6
[M]+ 160.98346 123.9
[M]- 160.98456 123.9
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