CID 20019

1,3-diethylthiomethylimidazolidine dihydrochloride

Structural Information

Molecular Formula

C₉H₂₀N₂S₂

SMILES

CCSCN1CCN(C1)CSCC

InChI

InChI=1S/C9H20N2S2/c1-3-12-8-10-5-6-11(7-10)9-13-4-2/h3-9H2,1-2H3

InChIKey

RSVUZXWFIYPXMM-UHFFFAOYSA-N

Compound name

1,3-bis(ethylsulfanylmethyl)imidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.1068 Da
Monoisotopic Mass: 2.4
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]+	221.11408	147.4
[M+Na]+	243.09602	154.6
[M-H]-	219.09952	147.7
[M+NH4]+	238.14062	166.3
[M+K]+	259.06996	151.4
[M+H-H2O]+	203.10406	140.9
[M+HCOO]-	265.10500	156.6
[M+CH3COO]-	279.12065	187.4
[M+Na-2H]-	241.08147	144.5
[M]+	220.10625	149.9
[M]-	220.10735	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.