CID 1551250

4-allylthiosemicarbazide

Structural Information

Molecular Formula
C4H9N3S
SMILES
C=CCNC(=S)NN
InChI
InChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)
InChIKey
CZLPCLANGIXFIE-UHFFFAOYSA-N
Compound name
1-amino-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

131.05171 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 127.1
[M+Na]+ 154.04093 133.8
[M+NH4]+ 149.08553 134.6
[M+K]+ 170.01487 127.5
[M-H]- 130.04443 127.6
[M+Na-2H]- 152.02638 129.7
[M]+ 131.05116 128.1
[M]- 131.05226 128.1
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