CID 70701031

5-aminopyridine-2-carbothioamide

Structural Information

Molecular Formula
C6H7N3S
SMILES
C1=CC(=NC=C1N)C(=S)N
InChI
InChI=1S/C6H7N3S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,7H2,(H2,8,10)
InChIKey
DEIFFQUHWALUAJ-UHFFFAOYSA-N
Compound name
5-aminopyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.03607 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.043346 128.6
[M+Na]+ 176.025288 136.8
[M-H]- 152.028794 130.5
[M+NH4]+ 171.069893 147.9
[M+K]+ 191.999228 133.2
[M+H-H2O]+ 136.033330 122.2
[M+HCOO]- 198.034271 147.3
[M+CH3COO]- 212.049921 178.2
[M+Na-2H]- 174.010736 131.9
[M]+ 153.03552142 125.5
[M]- 153.03661858 125.5
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.