CID 46736573

S-methyl-2-pyridylthioimidate hydroiodide

Structural Information

Molecular Formula
C7H8N2S
SMILES
CSC(=N)C1=CC=CC=N1
InChI
InChI=1S/C7H8N2S/c1-10-7(8)6-4-2-3-5-9-6/h2-5,8H,1H3
InChIKey
LLIHUTLOLFWKCW-UHFFFAOYSA-N
Compound name
methyl pyridine-2-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

152.04082 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 128.7
[M+Na]+ 175.03004 136.6
[M-H]- 151.03354 131.4
[M+NH4]+ 170.07464 148.8
[M+K]+ 191.00398 133.8
[M+H-H2O]+ 135.03808 122.4
[M+HCOO]- 197.03902 147.5
[M+CH3COO]- 211.05467 175.8
[M+Na-2H]- 173.01549 133.8
[M]+ 152.04027 128.4
[M]- 152.04137 128.4
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

patents stripe