CID 113718

63690-18-6

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]+ 168.05899 132.8
[M+Na]+ 190.04093 140.3
[M-H]- 166.04443 136.3
[M+NH4]+ 185.08553 152.5
[M+K]+ 206.01487 137.9
[M+H-H2O]+ 150.04897 125.7
[M+HCOO]- 212.04991 153.5
[M+CH3COO]- 226.06556 182.0
[M+Na-2H]- 188.02638 137.8
[M]+ 167.05116 132.5
[M]- 167.05226 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.