CID 55294012

2792202-25-4

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]+ 162.013866 131.3
[M+Na]+ 183.995808 140.7
[M-H]- 159.999314 135.2
[M+NH4]+ 179.040413 155.0
[M+K]+ 199.969748 136.9
[M+H-H2O]+ 144.003850 127.2
[M+HCOO]- 206.004791 146.8
[M+CH3COO]- 220.020441 176.2
[M+Na-2H]- 181.981256 132.1
[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

No patent data available for this compound.