CID 39243036

1807920-14-4

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
trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

210.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 135.9
[M+Na]+ 233.988878 149.2
[M-H]- 209.992384 145.8
[M+NH4]+ 229.033483 153.6
[M+K]+ 249.962818 137.2
[M+H-H2O]+ 193.996920 135.2
[M+HCOO]- 255.997861 158.8
[M+CH3COO]- 270.013511 189.5
[M+Na-2H]- 231.974326 143.5
[M]+ 210.99911142 153.8
[M]- 211.00020858 153.8
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