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

244
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 125.9
[M+Na]+ 154.04093 131.7
[M-H]- 130.04443 125.8
[M+NH4]+ 149.08553 146.9
[M+K]+ 170.01487 129.3
[M+H-H2O]+ 114.04897 120.0
[M+HCOO]- 176.04991 146.1
[M+CH3COO]- 190.06556 176.6
[M+Na-2H]- 152.02638 128.9
[M]+ 131.05116 122.5
[M]- 131.05226 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.