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	146.9
[M+Na]+	233.10828	152.4
[M-H]-	209.11178	151.1
[M+NH4]+	228.15288	166.1
[M+K]+	249.08222	148.8
[M+H-H2O]+	193.11632	139.7
[M+HCOO]-	255.11726	162.8
[M+CH3COO]-	269.13291	158.4
[M+Na-2H]-	231.09373	146.7
[M]+	210.11851	143.1
[M]-	210.11961	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe