CID 2564750

[(5-chlorothiophen-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C6H8ClNS
SMILES
CNCC1=CC=C(S1)Cl
InChI
InChI=1S/C6H8ClNS/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
InChIKey
FSFSUSWOXAUPJW-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

161.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.013866 130.4
[M+Na]+ 183.995808 140.2
[M-H]- 159.999314 134.8
[M+NH4]+ 179.040413 154.5
[M+K]+ 199.969748 136.4
[M+H-H2O]+ 144.003850 126.2
[M+HCOO]- 206.004791 147.7
[M+CH3COO]- 220.020441 176.1
[M+Na-2H]- 181.981256 133.5
[M]+ 161.00604142 133.5
[M]- 161.00713858 133.5
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