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

0
Patents

166.05647 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 132.8
[M+Na]+ 189.04569 142.0
[M-H]- 165.04919 135.5
[M+NH4]+ 184.09029 152.6
[M+K]+ 205.01963 138.5
[M+H-H2O]+ 149.05373 126.8
[M+HCOO]- 211.05467 150.6
[M+CH3COO]- 225.07032 181.1
[M+Na-2H]- 187.03114 135.0
[M]+ 166.05592 132.7
[M]- 166.05702 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

No patent data available for this compound.