CID 64309494

1-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1CC1(C2=CC=C(S2)Br)N
InChI
InChI=1S/C7H8BrNS/c8-6-2-1-5(10-6)7(9)3-4-7/h1-2H,3-4,9H2
InChIKey
LLCXHEISXBDLBY-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.95609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 126.1
[M+Na]+ 239.945308 140.8
[M-H]- 215.948814 136.5
[M+NH4]+ 234.989913 147.5
[M+K]+ 255.919248 129.3
[M+H-H2O]+ 199.953350 127.3
[M+HCOO]- 261.954291 145.3
[M+CH3COO]- 275.969941 142.7
[M+Na-2H]- 237.930756 132.5
[M]+ 216.95554142 146.5
[M]- 216.95663858 146.5
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.