CID 2801221

4041-95-6

Structural Information

Molecular Formula
C9H20N2S
SMILES
CC(C)(C)NC(=S)NC(C)(C)C
InChI
InChI=1S/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
InChIKey
LTMHEXFMSAISLN-UHFFFAOYSA-N
Compound name
1,3-ditert-butylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

154
Patents

188.13472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14200 146.0
[M+Na]+ 211.12394 151.3
[M-H]- 187.12744 146.3
[M+NH4]+ 206.16854 166.1
[M+K]+ 227.09788 149.6
[M+H-H2O]+ 171.13198 141.0
[M+HCOO]- 233.13292 161.3
[M+CH3COO]- 247.14857 187.6
[M+Na-2H]- 209.10939 148.8
[M]+ 188.13417 146.0
[M]- 188.13527 146.0
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.