CID 23004745

883541-34-2

Structural Information

Molecular Formula

C₁₁H₁₈N₂S

SMILES

C1CN(CCC1CN)CC2=CC=CS2

InChI

InChI=1S/C11H18N2S/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h1-2,7,10H,3-6,8-9,12H2

InChIKey

KZGFXYFQDXOLOP-UHFFFAOYSA-N

Compound name

[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 210.11906 Da
Monoisotopic Mass: 1.3
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]+	211.12634	147.0
[M+Na]+	233.10828	156.8
[M+NH4]+	228.15288	156.5
[M+K]+	249.08222	149.7
[M-H]-	209.11178	151.1
[M+Na-2H]-	231.09373	152.6
[M]+	210.11851	149.8
[M]-	210.11961	149.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.