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]+ 192.03824 137.6
[M+Na]+ 214.02018 147.0
[M-H]- 190.02368 140.3
[M+NH4]+ 209.06478 160.3
[M+K]+ 229.99412 136.2
[M+H-H2O]+ 174.02822 137.5
[M+HCOO]- 236.02916 158.6
[M+CH3COO]- 250.04481 185.4
[M+Na-2H]- 212.00563 144.0
[M]+ 191.03041 155.3
[M]- 191.03151 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.