CID 3261684

857041-65-7

Structural Information

Molecular Formula

C₁₁H₁₉N₃S

SMILES

CN1CCN(CC1)C(CN)C2=CC=CS2

InChI

InChI=1S/C11H19N3S/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11/h2-3,8,10H,4-7,9,12H2,1H3

InChIKey

QHKYTFGXTUYNGA-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.12997 Da
Monoisotopic Mass: 0.4
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]+	226.137246	151.3
[M+Na]+	248.119188	156.6
[M-H]-	224.122694	154.3
[M+NH4]+	243.163793	168.5
[M+K]+	264.093128	153.3
[M+H-H2O]+	208.127230	143.4
[M+HCOO]-	270.128171	164.9
[M+CH3COO]-	284.143821	189.2
[M+Na-2H]-	246.104636	149.9
[M]+	225.12942142	147.5
[M]-	225.13051858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe