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
3
Annotation Hits

16
References

579
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 122.4
[M+Na]+ 142.04094 128.4
[M-H]- 118.04444 122.5
[M+NH4]+ 137.08554 144.1
[M+K]+ 158.01488 126.8
[M+H-H2O]+ 102.04898 116.7
[M+HCOO]- 164.04992 142.8
[M+CH3COO]- 178.06557 174.5
[M+Na-2H]- 140.02639 126.0
[M]+ 119.05117 119.4
[M]- 119.05227 119.4
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