CID 4961947

2-(5-bromothiophen-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H8BrNS
SMILES
C1=C(SC(=C1)Br)CCN
InChI
InChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChIKey
FXHZCFUULHJHBY-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

204.95609 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 129.9
[M+Na]+ 227.94531 142.8
[M-H]- 203.94881 136.5
[M+NH4]+ 222.98991 154.7
[M+K]+ 243.91925 131.0
[M+H-H2O]+ 187.95335 130.3
[M+HCOO]- 249.95429 149.0
[M+CH3COO]- 263.96994 182.1
[M+Na-2H]- 225.93076 134.4
[M]+ 204.95554 148.9
[M]- 204.95664 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