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
(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

216.95609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 127.0
[M+Na]+ 239.94531 141.9
[M-H]- 215.94881 137.4
[M+NH4]+ 234.98991 146.9
[M+K]+ 255.91925 129.4
[M+H-H2O]+ 199.95335 127.1
[M+HCOO]- 261.95429 146.4
[M+CH3COO]- 275.96994 143.4
[M+Na-2H]- 237.93076 131.5
[M]+ 216.95554 147.1
[M]- 216.95664 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