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]+	226.13725	150.8
[M+Na]+	248.11919	160.0
[M+NH4]+	243.16379	159.3
[M+K]+	264.09313	154.0
[M-H]-	224.12269	153.8
[M+Na-2H]-	246.10464	155.7
[M]+	225.12942	153.1
[M]-	225.13052	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe