CID 162203

66356-53-4

Structural Information

Molecular Formula

C₁₀H₁₈N₂OS

SMILES

CN(C)CC1=CC=C(O1)CSCCN

InChI

InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3

InChIKey

JFGCGQJHMUYGLU-UHFFFAOYSA-N

Compound name

2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 310
Patents: 214.11398 Da
Monoisotopic Mass: -1.0
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]+	215.12126	150.0
[M+Na]+	237.10320	158.6
[M+NH4]+	232.14780	158.3
[M+K]+	253.07714	153.0
[M-H]-	213.10670	153.9
[M+Na-2H]-	235.08865	153.6
[M]+	214.11343	152.6
[M]-	214.11453	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe