CID 737374

Tert-butylthiourea

Structural Information

Molecular Formula
C5H12N2S
SMILES
CC(C)(C)NC(=S)N
InChI
InChI=1S/C5H12N2S/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
InChIKey
RYOCWONLFFPYMN-UHFFFAOYSA-N
Compound name
tert-butylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

167
Patents

132.07211 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07939 130.2
[M+Na]+ 155.06133 137.8
[M+NH4]+ 150.10593 138.2
[M+K]+ 171.03527 132.0
[M-H]- 131.06483 130.2
[M+Na-2H]- 153.04678 132.8
[M]+ 132.07156 131.4
[M]- 132.07266 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe