CID 3009101

4-pyridinecarbothioamide, 2-(propylthio)-

Structural Information

Molecular Formula
C9H12N2S2
SMILES
CCCSC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C9H12N2S2/c1-2-5-13-8-6-7(9(10)12)3-4-11-8/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKey
FGOXYOIZEREFNM-UHFFFAOYSA-N
Compound name
2-propylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05147 141.7
[M+Na]+ 235.03341 149.5
[M-H]- 211.03691 143.3
[M+NH4]+ 230.07801 159.4
[M+K]+ 251.00735 144.0
[M+H-H2O]+ 195.04145 135.1
[M+HCOO]- 257.04239 153.2
[M+CH3COO]- 271.05804 187.8
[M+Na-2H]- 233.01886 142.0
[M]+ 212.04364 142.2
[M]- 212.04474 142.2
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.