CID 477669

(2-cyanopyridine-4-ylthio)acethydrazide

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=CN=C(C=C1SCC(=O)NN)C#N
InChI
InChI=1S/C8H8N4OS/c9-4-6-3-7(1-2-11-6)14-5-8(13)12-10/h1-3H,5,10H2,(H,12,13)
InChIKey
LMPVQERTRVMFIL-UHFFFAOYSA-N
Compound name
2-(2-cyanopyridin-4-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.04189 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 147.9
[M+Na]+ 231.03111 156.6
[M-H]- 207.03461 149.6
[M+NH4]+ 226.07571 163.1
[M+K]+ 247.00505 153.9
[M+H-H2O]+ 191.03915 134.1
[M+HCOO]- 253.04009 163.1
[M+CH3COO]- 267.05574 199.2
[M+Na-2H]- 229.01656 150.7
[M]+ 208.04134 142.5
[M]- 208.04244 142.5
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.