CID 35526

1,3-diethyl-2-imidazolidinethione

Structural Information

Molecular Formula

C₇H₁₄N₂S

SMILES

CCN1CCN(C1=S)CC

InChI

InChI=1S/C7H14N2S/c1-3-8-5-6-9(4-2)7(8)10/h3-6H2,1-2H3

InChIKey

VLAZWTFELFNZTO-UHFFFAOYSA-N

Compound name

1,3-diethylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 158.08777 Da
Monoisotopic Mass: 1.1
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]+	159.09505	134.0
[M+Na]+	181.07699	142.9
[M-H]-	157.08049	135.2
[M+NH4]+	176.12159	155.3
[M+K]+	197.05093	140.8
[M+H-H2O]+	141.08503	128.0
[M+HCOO]-	203.08597	149.4
[M+CH3COO]-	217.10162	176.8
[M+Na-2H]-	179.06244	133.7
[M]+	158.08722	134.5
[M]-	158.08832	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe