CID 2724189

Thiocarbohydrazide

Structural Information

Molecular Formula
CH6N4S
SMILES
C(=S)(NN)NN
InChI
InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
InChIKey
LJTFFORYSFGNCT-UHFFFAOYSA-N
Compound name
1,3-diaminothiourea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

80
References

3587
Patents

106.03132 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.038596 116.3
[M+Na]+ 129.020538 122.2
[M-H]- 105.024044 116.0
[M+NH4]+ 124.065143 137.6
[M+K]+ 144.994478 120.7
[M+H-H2O]+ 89.028580 110.3
[M+HCOO]- 151.029521 137.5
[M+CH3COO]- 165.045171 173.1
[M+Na-2H]- 127.005986 120.2
[M]+ 106.03077142 110.7
[M]- 106.03186858 110.7
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