CID 15036615

2-(4-bromothiophen-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H8BrNS
SMILES
C1=C(SC=C1Br)CCN
InChI
InChI=1S/C6H8BrNS/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2
InChIKey
PBCITPUKHNCINI-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

204.95609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.963366 129.9
[M+Na]+ 227.945308 142.8
[M-H]- 203.948814 136.5
[M+NH4]+ 222.989913 154.7
[M+K]+ 243.919248 131.0
[M+H-H2O]+ 187.953350 130.3
[M+HCOO]- 249.954291 149.0
[M+CH3COO]- 263.969941 182.1
[M+Na-2H]- 225.930756 134.4
[M]+ 204.95554142 148.9
[M]- 204.95663858 148.9
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