CID 2564750

70696-37-6

Structural Information

Molecular Formula

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.01387	130.6
[M+Na]+	183.99581	142.4
[M+NH4]+	179.04041	141.0
[M+K]+	199.96975	134.9
[M-H]-	159.99931	133.6
[M+Na-2H]-	181.98126	136.7
[M]+	161.00604	133.8
[M]-	161.00714	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe