CID 3037143

Thiourea, dibutyl-

Structural Information

Molecular Formula

C₉H₂₀N₂S

SMILES

CCCCN(CCCC)C(=S)N

InChI

InChI=1S/C9H20N2S/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3,(H2,10,12)

InChIKey

OVRQXQSDQWOJIL-UHFFFAOYSA-N

Compound name

1,1-dibutylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4098
Patents: 188.13472 Da
Monoisotopic Mass: 2.3
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]+	189.14200	146.0
[M+Na]+	211.12394	150.4
[M-H]-	187.12744	146.6
[M+NH4]+	206.16854	166.0
[M+K]+	227.09788	148.9
[M+H-H2O]+	171.13198	139.5
[M+HCOO]-	233.13292	164.0
[M+CH3COO]-	247.14857	191.8
[M+Na-2H]-	209.10939	145.5
[M]+	188.13417	147.5
[M]-	188.13527	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe