CID 96861696

2418595-62-5

Structural Information

Molecular Formula
C6H8BrNS
SMILES
C[C@@H](C1=CSC(=C1)Br)N
InChI
InChI=1S/C6H8BrNS/c1-4(8)5-2-6(7)9-3-5/h2-4H,8H2,1H3/t4-/m0/s1
InChIKey
RLFXHTLBJJTECS-BYPYZUCNSA-N
Compound name
(1S)-1-(5-bromothiophen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.95609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.963366 131.1
[M+Na]+ 227.945308 143.7
[M-H]- 203.948814 137.7
[M+NH4]+ 222.989913 155.8
[M+K]+ 243.919248 132.3
[M+H-H2O]+ 187.953350 131.5
[M+HCOO]- 249.954291 149.2
[M+CH3COO]- 263.969941 182.9
[M+Na-2H]- 225.930756 134.4
[M]+ 204.95554142 149.4
[M]- 204.95663858 149.4
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.