CID 14789763

4-bromo-3,3-dimethylbutanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

174.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.00694 128.1
[M+Na]+ 197.98888 141.0
[M-H]- 173.99238 130.7
[M+NH4]+ 193.03348 149.8
[M+K]+ 213.96282 131.4
[M+H-H2O]+ 157.99692 122.7
[M+HCOO]- 219.99786 147.1
[M+CH3COO]- 234.01351 191.8
[M+Na-2H]- 195.97433 136.5
[M]+ 174.99911 140.7
[M]- 175.00021 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