CID 59939125

2-amino-6-methylpyridine-3-carbothioamide

Structural Information

Molecular Formula
C7H9N3S
SMILES
CC1=NC(=C(C=C1)C(=S)N)N
InChI
InChI=1S/C7H9N3S/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,8,10)(H2,9,11)
InChIKey
CIVWSWUKVPGNRT-UHFFFAOYSA-N
Compound name
2-amino-6-methylpyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.05171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 133.1
[M+Na]+ 190.040928 141.8
[M-H]- 166.044434 135.2
[M+NH4]+ 185.085533 152.2
[M+K]+ 206.014868 138.0
[M+H-H2O]+ 150.048970 126.8
[M+HCOO]- 212.049911 151.5
[M+CH3COO]- 226.065561 182.4
[M+Na-2H]- 188.026376 135.2
[M]+ 167.05116142 130.8
[M]- 167.05225858 130.8
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

patents stripe