CID 91647608

1820580-31-1

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 124.8
[M+Na]+ 239.94531 128.6
[M+NH4]+ 234.98991 131.8
[M+K]+ 255.91925 130.1
[M-H]- 215.94881 133.0
[M+Na-2H]- 237.93076 131.2
[M]+ 216.95554 127.9
[M]- 216.95664 127.9
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