CID 3000561

4,6-dimethylpyridine-3-carbothioamide

Structural Information

Molecular Formula
C8H10N2S
SMILES
CC1=CC(=NC=C1C(=S)N)C
InChI
InChI=1S/C8H10N2S/c1-5-3-6(2)10-4-7(5)8(9)11/h3-4H,1-2H3,(H2,9,11)
InChIKey
YRESOMFQUAWELG-UHFFFAOYSA-N
Compound name
4,6-dimethylpyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

166.05647 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.063746 132.8
[M+Na]+ 189.045688 142.0
[M-H]- 165.049194 135.5
[M+NH4]+ 184.090293 152.6
[M+K]+ 205.019628 138.5
[M+H-H2O]+ 149.053730 126.8
[M+HCOO]- 211.054671 150.6
[M+CH3COO]- 225.070321 181.1
[M+Na-2H]- 187.031136 135.0
[M]+ 166.05592142 132.7
[M]- 166.05701858 132.7
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