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

62
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 123.3
[M+Na]+ 142.04094 129.4
[M-H]- 118.04444 124.9
[M+NH4]+ 137.08554 145.6
[M+K]+ 158.01488 129.3
[M+H-H2O]+ 102.04898 117.4
[M+HCOO]- 164.04992 144.1
[M+CH3COO]- 178.06557 177.9
[M+Na-2H]- 140.02639 126.1
[M]+ 119.05117 121.6
[M]- 119.05227 121.6
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