CID 3034187

2,4-dimethylthiosemicarbazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

119.05172 Da
Monoisotopic Mass

-0.6
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