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]+ 205.96337 131.1
[M+Na]+ 227.94531 143.7
[M-H]- 203.94881 137.7
[M+NH4]+ 222.98991 155.8
[M+K]+ 243.91925 132.3
[M+H-H2O]+ 187.95335 131.5
[M+HCOO]- 249.95429 149.2
[M+CH3COO]- 263.96994 182.9
[M+Na-2H]- 225.93076 134.4
[M]+ 204.95554 149.4
[M]- 204.95664 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.