CID 3038186

3-(2-pyridyl)thiopropionamide hydrochloride

Structural Information

Molecular Formula
C8H10N2S
SMILES
C1=CC=NC(=C1)CCC(=S)N
InChI
InChI=1S/C8H10N2S/c9-8(11)5-4-7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H2,9,11)
InChIKey
DTBYSYRKPJPTJH-UHFFFAOYSA-N
Compound name
3-pyridin-2-ylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05647 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 133.3
[M+Na]+ 189.04569 140.7
[M-H]- 165.04919 135.2
[M+NH4]+ 184.09029 152.5
[M+K]+ 205.01963 137.2
[M+H-H2O]+ 149.05373 126.8
[M+HCOO]- 211.05467 151.2
[M+CH3COO]- 225.07032 178.8
[M+Na-2H]- 187.03114 136.9
[M]+ 166.05592 132.4
[M]- 166.05702 132.4
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.