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]+ 154.04335 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.