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]+ 240.03824 144.8
[M+Na]+ 262.02018 156.2
[M-H]- 238.02368 154.0
[M+NH4]+ 257.06478 161.0
[M+K]+ 277.99412 144.2
[M+H-H2O]+ 222.02822 143.7
[M+HCOO]- 284.02916 166.2
[M+CH3COO]- 298.04481 194.7
[M+Na-2H]- 260.00563 150.8
[M]+ 239.03041 162.4
[M]- 239.03151 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.