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
6
Annotation Hits

61
References

7404
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 127.9
[M+Na]+ 155.06133 134.3
[M-H]- 131.06483 131.5
[M+NH4]+ 150.10593 151.2
[M+K]+ 171.03527 135.7
[M+H-H2O]+ 115.06937 122.1
[M+HCOO]- 177.07031 148.3
[M+CH3COO]- 191.08596 183.4
[M+Na-2H]- 153.04678 129.9
[M]+ 132.07156 130.2
[M]- 132.07266 130.2
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