CID 3154216

626216-21-5

Structural Information

Molecular Formula

C₉H₁₆N₂S

SMILES

CN(C)CCNCC1=CC=CS1

InChI

InChI=1S/C9H16N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3

InChIKey

PDADLYSGRUBJJI-UHFFFAOYSA-N

Compound name

N',N'-dimethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.10342 Da
Monoisotopic Mass: 1.0
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]+	185.11070	141.1
[M+Na]+	207.09264	147.2
[M-H]-	183.09614	146.0
[M+NH4]+	202.13724	163.4
[M+K]+	223.06658	145.8
[M+H-H2O]+	167.10068	134.4
[M+HCOO]-	229.10162	163.4
[M+CH3COO]-	243.11727	188.5
[M+Na-2H]-	205.07809	143.6
[M]+	184.10287	143.7
[M]-	184.10397	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe