CID 3931107

6-aminopyridine-3-thioamide

Structural Information

Molecular Formula
C6H7N3S
SMILES
C1=CC(=NC=C1C(=S)N)N
InChI
InChI=1S/C6H7N3S/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
InChIKey
LCKBJNNMWMUYAB-UHFFFAOYSA-N
Compound name
6-aminopyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

153.03607 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04335 128.6
[M+Na]+ 176.02529 136.8
[M-H]- 152.02879 130.5
[M+NH4]+ 171.06989 147.9
[M+K]+ 191.99923 133.2
[M+H-H2O]+ 136.03333 122.2
[M+HCOO]- 198.03427 147.3
[M+CH3COO]- 212.04992 178.2
[M+Na-2H]- 174.01074 131.9
[M]+ 153.03552 125.5
[M]- 153.03662 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

literature stripe

Patent stripe

patents stripe