CID 2723622

1,3-dibutyl-2-thiourea

Structural Information

Molecular Formula
C9H20N2S
SMILES
CCCCNC(=S)NCCCC
InChI
InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKey
KFFQABQEJATQAT-UHFFFAOYSA-N
Compound name
1,3-dibutylthiourea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

6727
Patents

188.13472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14200 145.2
[M+Na]+ 211.12394 149.6
[M-H]- 187.12744 144.9
[M+NH4]+ 206.16854 164.9
[M+K]+ 227.09788 147.0
[M+H-H2O]+ 171.13198 139.0
[M+HCOO]- 233.13292 163.4
[M+CH3COO]- 247.14857 188.3
[M+Na-2H]- 209.10939 146.5
[M]+ 188.13417 146.4
[M]- 188.13527 146.4
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.