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

5
Patents

161.00659 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01387 130.7
[M+Na]+ 183.99581 140.5
[M-H]- 159.99931 134.5
[M+NH4]+ 179.04041 154.5
[M+K]+ 199.96975 136.3
[M+H-H2O]+ 144.00385 126.5
[M+HCOO]- 206.00479 147.3
[M+CH3COO]- 220.02044 175.4
[M+Na-2H]- 181.98126 132.7
[M]+ 161.00604 132.8
[M]- 161.00714 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