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

10
Patents

216.95609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 126.1
[M+Na]+ 239.94531 140.8
[M-H]- 215.94881 136.5
[M+NH4]+ 234.98991 147.5
[M+K]+ 255.91925 129.3
[M+H-H2O]+ 199.95335 127.3
[M+HCOO]- 261.95429 145.3
[M+CH3COO]- 275.96994 142.7
[M+Na-2H]- 237.93076 132.5
[M]+ 216.95554 146.5
[M]- 216.95664 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.