CID 16795633

[2-amino-1-(thiophen-3-yl)ethyl]dimethylamine

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CN(C)C(CN)C1=CSC=C1

InChI

InChI=1S/C8H14N2S/c1-10(2)8(5-9)7-3-4-11-6-7/h3-4,6,8H,5,9H2,1-2H3

InChIKey

JLSSIEXZXYNSOE-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 170.08777 Da
Monoisotopic Mass: 0.5
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]+	171.09505	137.5
[M+Na]+	193.07699	145.9
[M+NH4]+	188.12159	146.7
[M+K]+	209.05093	140.6
[M-H]-	169.08049	140.6
[M+Na-2H]-	191.06244	142.5
[M]+	170.08722	139.8
[M]-	170.08832	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe