CID 113718

Dtxsid00979989

Structural Information

Molecular Formula
C7H9N3S
SMILES
CSC(=NN)C1=CC=NC=C1
InChI
InChI=1S/C7H9N3S/c1-11-7(10-8)6-2-4-9-5-3-6/h2-5H,8H2,1H3
InChIKey
JYAVBLPDVCVLJS-UHFFFAOYSA-N
Compound name
methyl N-aminopyridine-4-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 132.8
[M+Na]+ 190.040928 140.3
[M-H]- 166.044434 136.3
[M+NH4]+ 185.085533 152.5
[M+K]+ 206.014868 137.9
[M+H-H2O]+ 150.048970 125.7
[M+HCOO]- 212.049911 153.5
[M+CH3COO]- 226.065561 182.0
[M+Na-2H]- 188.026376 137.8
[M]+ 167.05116142 132.5
[M]- 167.05225858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.