CID 3001431

2-pyridinecarbothioamide, 4-(pentylthio)-

Structural Information

Molecular Formula
C11H16N2S2
SMILES
CCCCCSC1=CC(=NC=C1)C(=S)N
InChI
InChI=1S/C11H16N2S2/c1-2-3-4-7-15-9-5-6-13-10(8-9)11(12)14/h5-6,8H,2-4,7H2,1H3,(H2,12,14)
InChIKey
VGLYFEOBNFSSPD-UHFFFAOYSA-N
Compound name
4-pentylsulfanylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.07549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08277 150.0
[M+Na]+ 263.06471 156.9
[M-H]- 239.06821 151.2
[M+NH4]+ 258.10931 166.6
[M+K]+ 279.03865 150.9
[M+H-H2O]+ 223.07275 143.0
[M+HCOO]- 285.07369 160.9
[M+CH3COO]- 299.08934 193.7
[M+Na-2H]- 261.05016 149.4
[M]+ 240.07494 151.2
[M]- 240.07604 151.2
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

No patent data available for this compound.