CID 737374

N-(tert-butyl)thiourea

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

309
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 128.5
[M+Na]+ 155.06133 135.0
[M-H]- 131.06483 128.7
[M+NH4]+ 150.10593 150.3
[M+K]+ 171.03527 133.5
[M+H-H2O]+ 115.06937 123.7
[M+HCOO]- 177.07031 145.9
[M+CH3COO]- 191.08596 175.8
[M+Na-2H]- 153.04678 131.4
[M]+ 132.07156 126.7
[M]- 132.07266 126.7
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