CID 1551780

4-ethyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C3H9N3S
SMILES
CCNC(=S)NN
InChI
InChI=1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
InChIKey
SKYYTGUCWARUCL-UHFFFAOYSA-N
Compound name
1-amino-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

520
Patents

119.05172 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05900 123.1
[M+Na]+ 142.04094 130.0
[M+NH4]+ 137.08554 131.1
[M+K]+ 158.01488 124.1
[M-H]- 118.04444 124.0
[M+Na-2H]- 140.02639 126.2
[M]+ 119.05117 124.3
[M]- 119.05227 124.3
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