CID 81731061

2-amino-4-methylpyridine-3-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05899 133.1
[M+Na]+ 190.04093 141.8
[M-H]- 166.04443 135.2
[M+NH4]+ 185.08553 152.2
[M+K]+ 206.01487 138.0
[M+H-H2O]+ 150.04897 126.8
[M+HCOO]- 212.04991 151.5
[M+CH3COO]- 226.06556 182.4
[M+Na-2H]- 188.02638 135.2
[M]+ 167.05116 130.8
[M]- 167.05226 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

No patent data available for this compound.