CID 79006733

4-bromo-2,2-dimethylbutanenitrile

Structural Information

Molecular Formula
C6H10BrN
SMILES
CC(C)(CCBr)C#N
InChI
InChI=1S/C6H10BrN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChIKey
XEYDLTVVSSVNKU-UHFFFAOYSA-N
Compound name
4-bromo-2,2-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.006936 128.1
[M+Na]+ 197.988878 141.0
[M-H]- 173.992384 130.7
[M+NH4]+ 193.033483 149.8
[M+K]+ 213.962818 131.4
[M+H-H2O]+ 157.996920 122.7
[M+HCOO]- 219.997861 147.1
[M+CH3COO]- 234.013511 191.8
[M+Na-2H]- 195.974326 136.5
[M]+ 174.99911142 140.7
[M]- 175.00020858 140.7
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