CID 15179201

Akos017531427

Structural Information

Molecular Formula
C7H12BrN
SMILES
CC(C)(CCCBr)C#N
InChI
InChI=1S/C7H12BrN/c1-7(2,6-9)4-3-5-8/h3-5H2,1-2H3
InChIKey
HEXHWZPDWYQUCV-UHFFFAOYSA-N
Compound name
5-bromo-2,2-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02258 132.1
[M+Na]+ 212.00452 144.7
[M-H]- 188.00802 134.6
[M+NH4]+ 207.04912 153.3
[M+K]+ 227.97846 134.8
[M+H-H2O]+ 172.01256 126.5
[M+HCOO]- 234.01350 150.9
[M+CH3COO]- 248.02915 194.3
[M+Na-2H]- 209.98997 140.1
[M]+ 189.01475 145.0
[M]- 189.01585 145.0
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.