CID 86691758

3-bromo-2,2-dimethylpropan-1-amine hydrobromide

Structural Information

Molecular Formula
C5H12BrN
SMILES
CC(C)(CN)CBr
InChI
InChI=1S/C5H12BrN/c1-5(2,3-6)4-7/h3-4,7H2,1-2H3
InChIKey
IMDOFJMATWJHOX-UHFFFAOYSA-N
Compound name
3-bromo-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

165.0153 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02258 131.0
[M+Na]+ 188.00452 141.6
[M-H]- 164.00802 133.7
[M+NH4]+ 183.04912 154.7
[M+K]+ 203.97846 131.3
[M+H-H2O]+ 148.01256 131.7
[M+HCOO]- 210.01350 151.3
[M+CH3COO]- 224.02915 179.4
[M+Na-2H]- 185.98997 139.0
[M]+ 165.01475 147.8
[M]- 165.01585 147.8
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