CID 12470646

2-bromo-3-methylbutanenitrile

Structural Information

Molecular Formula
C5H8BrN
SMILES
CC(C)C(C#N)Br
InChI
InChI=1S/C5H8BrN/c1-4(2)5(6)3-7/h4-5H,1-2H3
InChIKey
BJERBFCIVSSJCS-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.98401 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99129 123.1
[M+Na]+ 183.97323 135.6
[M-H]- 159.97673 125.6
[M+NH4]+ 179.01783 145.0
[M+K]+ 199.94717 126.4
[M+H-H2O]+ 143.98127 117.3
[M+HCOO]- 205.98221 142.0
[M+CH3COO]- 219.99786 190.4
[M+Na-2H]- 181.95868 129.5
[M]+ 160.98346 134.6
[M]- 160.98456 134.6
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

No patent data available for this compound.