CID 9570369

Crotonaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C5H9N3S
SMILES
C/C=C/C=N/NC(=S)N
InChI
InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)/b3-2+,7-4+
InChIKey
OWTTWSQTSRNFHY-AOGGBPEJSA-N
Compound name
[(E)-[(E)-but-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

143.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 131.4
[M+Na]+ 166.04093 138.5
[M+NH4]+ 161.08553 138.8
[M+K]+ 182.01487 131.5
[M-H]- 142.04443 132.2
[M+Na-2H]- 164.02638 134.2
[M]+ 143.05116 132.5
[M]- 143.05226 132.5
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

No patent data available for this compound.