CID 12750667

52599-24-3

Structural Information

Molecular Formula
C8H18N2S
SMILES
CC(C)NC(=S)NC(C)(C)C
InChI
InChI=1S/C8H18N2S/c1-6(2)9-7(11)10-8(3,4)5/h6H,1-5H3,(H2,9,10,11)
InChIKey
JKZGKJJRHXYLRI-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

174.11906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.126336 141.9
[M+Na]+ 197.108278 146.9
[M-H]- 173.111784 142.2
[M+NH4]+ 192.152883 162.3
[M+K]+ 213.082218 145.5
[M+H-H2O]+ 157.116320 136.6
[M+HCOO]- 219.117261 157.9
[M+CH3COO]- 233.132911 185.7
[M+Na-2H]- 195.093726 143.2
[M]+ 174.11851142 141.5
[M]- 174.11960858 141.5
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

patents stripe