CID 71757100

5-(tert-butylsulfanyl)pyridine-2-carbothioamide

Structural Information

Molecular Formula
C10H14N2S2
SMILES
CC(C)(C)SC1=CN=C(C=C1)C(=S)N
InChI
InChI=1S/C10H14N2S2/c1-10(2,3)14-7-4-5-8(9(11)13)12-6-7/h4-6H,1-3H3,(H2,11,13)
InChIKey
SHSOYZAKNQQBDU-UHFFFAOYSA-N
Compound name
5-tert-butylsulfanylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.067116 147.9
[M+Na]+ 249.049058 155.6
[M-H]- 225.052564 149.5
[M+NH4]+ 244.093663 165.2
[M+K]+ 265.022998 150.3
[M+H-H2O]+ 209.057100 141.6
[M+HCOO]- 271.058041 157.6
[M+CH3COO]- 285.073691 190.4
[M+Na-2H]- 247.034506 148.4
[M]+ 226.05929142 148.2
[M]- 226.06038858 148.2
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.