CID 69166866

(3-bromophenyl)(cyclobutyl)methanamine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CC(C1)C(C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C11H14BrN/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8/h2,5-8,11H,1,3-4,13H2
InChIKey
LFULVMJBOCSCSE-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-cyclobutylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 141.5
[M+Na]+ 262.020178 149.3
[M-H]- 238.023684 149.5
[M+NH4]+ 257.064783 155.9
[M+K]+ 277.994118 141.3
[M+H-H2O]+ 222.028220 135.7
[M+HCOO]- 284.029161 160.7
[M+CH3COO]- 298.044811 194.5
[M+Na-2H]- 260.005626 146.9
[M]+ 239.03041142 163.6
[M]- 239.03150858 163.6
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