CID 3033816

111964-42-2

Structural Information

Molecular Formula

C₁₀H₂₀N₂S

SMILES

CCCCN1C(CNC1=S)C(C)C

InChI

InChI=1S/C10H20N2S/c1-4-5-6-12-9(8(2)3)7-11-10(12)13/h8-9H,4-7H2,1-3H3,(H,11,13)

InChIKey

KCQRETXLFTZIPU-UHFFFAOYSA-N

Compound name

1-butyl-5-propan-2-ylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.13472 Da
Monoisotopic Mass: 2.6
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]+	201.14200	148.1
[M+Na]+	223.12394	154.9
[M-H]-	199.12744	147.4
[M+NH4]+	218.16854	166.9
[M+K]+	239.09788	151.5
[M+H-H2O]+	183.13198	141.8
[M+HCOO]-	245.13292	160.0
[M+CH3COO]-	259.14857	184.0
[M+Na-2H]-	221.10939	144.8
[M]+	200.13417	147.2
[M]-	200.13527	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe