CID 56670425

175168-76-0

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1[C@H]([C@@H]1N)C2=CC=CC=C2Br
InChI
InChI=1S/C9H10BrN/c10-8-4-2-1-3-6(8)7-5-9(7)11/h1-4,7,9H,5,11H2/t7-,9+/m0/s1
InChIKey
AMHNTDLMRMXDEC-IONNQARKSA-N
Compound name
(1R,2S)-2-(2-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]+ 212.00694 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.