CID 35527

2-imidazolidinethione, 1,3-dibutyl-

Structural Information

Molecular Formula

C₁₁H₂₂N₂S

SMILES

CCCCN1CCN(C1=S)CCCC

InChI

InChI=1S/C11H22N2S/c1-3-5-7-12-9-10-13(11(12)14)8-6-4-2/h3-10H2,1-2H3

InChIKey

GEDLJMYPQDMOSM-UHFFFAOYSA-N

Compound name

1,3-dibutylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 214.15038 Da
Monoisotopic Mass: 2.9
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]+	215.157656	151.4
[M+Na]+	237.139598	158.6
[M-H]-	213.143104	151.9
[M+NH4]+	232.184203	170.5
[M+K]+	253.113538	155.5
[M+H-H2O]+	197.147640	144.6
[M+HCOO]-	259.148581	165.6
[M+CH3COO]-	273.164231	188.8
[M+Na-2H]-	235.125046	149.2
[M]+	214.14983142	153.4
[M]-	214.15092858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe