CID 91647608

Rac-(1r,2r)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(S2)Br
InChI
InChI=1S/C7H8BrNS/c8-7-2-1-6(10-7)4-3-5(4)9/h1-2,4-5H,3,9H2/t4-,5-/m1/s1
InChIKey
YOZWARUYCJJUCK-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

216.95609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 127.0
[M+Na]+ 239.945308 141.9
[M-H]- 215.948814 137.4
[M+NH4]+ 234.989913 146.9
[M+K]+ 255.919248 129.4
[M+H-H2O]+ 199.953350 127.1
[M+HCOO]- 261.954291 146.4
[M+CH3COO]- 275.969941 143.4
[M+Na-2H]- 237.930756 131.5
[M]+ 216.95554142 147.1
[M]- 216.95663858 147.1
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