CID 80531897

2-(3-chlorothiophen-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H8ClNS
SMILES
C1=CSC(=C1Cl)CCN
InChI
InChI=1S/C6H8ClNS/c7-5-2-4-9-6(5)1-3-8/h2,4H,1,3,8H2
InChIKey
FAVKMXKQDGUREZ-UHFFFAOYSA-N
Compound name
2-(3-chlorothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.00659 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.013866 130.7
[M+Na]+ 183.995808 140.5
[M-H]- 159.999314 134.5
[M+NH4]+ 179.040413 154.5
[M+K]+ 199.969748 136.3
[M+H-H2O]+ 144.003850 126.5
[M+HCOO]- 206.004791 147.3
[M+CH3COO]- 220.020441 175.4
[M+Na-2H]- 181.981256 132.7
[M]+ 161.00604142 132.8
[M]- 161.00713858 132.8
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