CID 17725

Tetramethylthiourea

Structural Information

Molecular Formula
C5H12N2S
SMILES
CN(C)C(=S)N(C)C
InChI
InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
InChIKey
MNOILHPDHOHILI-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethylthiourea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

61
References

6287
Patents

132.07211 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07939 129.7
[M+Na]+ 155.06133 138.3
[M+NH4]+ 150.10593 138.6
[M+K]+ 171.03527 132.1
[M-H]- 131.06483 131.2
[M+Na-2H]- 153.04678 133.5
[M]+ 132.07156 131.6
[M]- 132.07266 131.6
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