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

4226
Patents

188.13472 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.