CID 36217788

1228092-84-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

165
Patents

210.99966 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 135.9
[M+Na]+ 233.98888 149.2
[M-H]- 209.99238 145.8
[M+NH4]+ 229.03348 153.6
[M+K]+ 249.96282 137.2
[M+H-H2O]+ 193.99692 135.2
[M+HCOO]- 255.99786 158.8
[M+CH3COO]- 270.01351 189.5
[M+Na-2H]- 231.97433 143.5
[M]+ 210.99911 153.8
[M]- 211.00021 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

literature stripe

Patent stripe

patents stripe