CID 3034160

2-imidazolidinethione, 1-butyl-

Structural Information

Molecular Formula

C₇H₁₄N₂S

SMILES

CCCCN1CCNC1=S

InChI

InChI=1S/C7H14N2S/c1-2-3-5-9-6-4-8-7(9)10/h2-6H2,1H3,(H,8,10)

InChIKey

CUKQFZDGLCFERQ-UHFFFAOYSA-N

Compound name

1-butylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 10
Patents: 158.08777 Da
Monoisotopic Mass: 1.2
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	135.1
[M+Na]+	181.07699	142.6
[M-H]-	157.08049	134.5
[M+NH4]+	176.12159	155.3
[M+K]+	197.05093	139.6
[M+H-H2O]+	141.08503	128.9
[M+HCOO]-	203.08597	149.0
[M+CH3COO]-	217.10162	173.0
[M+Na-2H]-	179.06244	135.0
[M]+	158.08722	133.3
[M]-	158.08832	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe