CID 64905480

1-(3-bromophenyl)-2-cyclopropylethan-1-amine

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CC1CC(C2=CC(=CC=C2)Br)N
InChI
InChI=1S/C11H14BrN/c12-10-3-1-2-9(7-10)11(13)6-8-4-5-8/h1-3,7-8,11H,4-6,13H2
InChIKey
GEWLRYOMLAPARU-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-cyclopropylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 144.8
[M+Na]+ 262.020178 156.2
[M-H]- 238.023684 154.0
[M+NH4]+ 257.064783 161.0
[M+K]+ 277.994118 144.2
[M+H-H2O]+ 222.028220 143.7
[M+HCOO]- 284.029161 166.2
[M+CH3COO]- 298.044811 194.7
[M+Na-2H]- 260.005626 150.8
[M]+ 239.03041142 162.4
[M]- 239.03150858 162.4
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.