CID 2733700

4,4-dimethyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C3H9N3S
SMILES
CN(C)C(=S)NN
InChI
InChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChIKey
FCPHVJQWZFNNKD-UHFFFAOYSA-N
Compound name
3-amino-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

362
Patents

119.05172 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05900 124.1
[M+Na]+ 142.04094 131.2
[M+NH4]+ 137.08554 132.3
[M+K]+ 158.01488 125.7
[M-H]- 118.04444 125.3
[M+Na-2H]- 140.02639 127.4
[M]+ 119.05117 125.5
[M]- 119.05227 125.5
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