CID 39243036

1314324-03-2

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1[C@H]([C@@H]1N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H10BrN/c10-7-3-1-2-6(4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
InChIKey
CFVKOAMEQVZCAM-DTWKUNHWSA-N
Compound name
(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

210.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 129.1
[M+Na]+ 233.98888 134.6
[M+NH4]+ 229.03348 135.8
[M+K]+ 249.96282 135.3
[M-H]- 209.99238 137.9
[M+Na-2H]- 231.97433 137.1
[M]+ 210.99911 132.3
[M]- 211.00021 132.3
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