CID 55294012

1-(3-chlorothiophen-2-yl)ethan-1-aminehydrochloride

Structural Information

Molecular Formula
C6H8ClNS
SMILES
CC(C1=C(C=CS1)Cl)N
InChI
InChI=1S/C6H8ClNS/c1-4(8)6-5(7)2-3-9-6/h2-4H,8H2,1H3
InChIKey
XOESVDQIPAYBHC-UHFFFAOYSA-N
Compound name
1-(3-chlorothiophen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00659 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01387 131.3
[M+Na]+ 183.99581 140.7
[M-H]- 159.99931 135.2
[M+NH4]+ 179.04041 155.0
[M+K]+ 199.96975 136.9
[M+H-H2O]+ 144.00385 127.2
[M+HCOO]- 206.00479 146.8
[M+CH3COO]- 220.02044 176.2
[M+Na-2H]- 181.98126 132.1
[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

No patent data available for this compound.