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

10
Patents

161.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01387 130.4
[M+Na]+ 183.99581 140.2
[M-H]- 159.99931 134.8
[M+NH4]+ 179.04041 154.5
[M+K]+ 199.96975 136.4
[M+H-H2O]+ 144.00385 126.2
[M+HCOO]- 206.00479 147.7
[M+CH3COO]- 220.02044 176.1
[M+Na-2H]- 181.98126 133.5
[M]+ 161.00604 133.5
[M]- 161.00714 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