CID 56013

Allylamine, 2-bromo-n-butyl-

Structural Information

Molecular Formula
C7H14BrN
SMILES
CCCCNCC(=C)Br
InChI
InChI=1S/C7H14BrN/c1-3-4-5-9-6-7(2)8/h9H,2-6H2,1H3
InChIKey
RMUNFLYJZZIBJK-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03096 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038236 137.6
[M+Na]+ 214.020178 147.0
[M-H]- 190.023684 140.3
[M+NH4]+ 209.064783 160.3
[M+K]+ 229.994118 136.2
[M+H-H2O]+ 174.028220 137.5
[M+HCOO]- 236.029161 158.6
[M+CH3COO]- 250.044811 185.4
[M+Na-2H]- 212.005626 144.0
[M]+ 191.03041142 155.3
[M]- 191.03150858 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.