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]+ 227.06712 147.9
[M+Na]+ 249.04906 155.6
[M-H]- 225.05256 149.5
[M+NH4]+ 244.09366 165.2
[M+K]+ 265.02300 150.3
[M+H-H2O]+ 209.05710 141.6
[M+HCOO]- 271.05804 157.6
[M+CH3COO]- 285.07369 190.4
[M+Na-2H]- 247.03451 148.4
[M]+ 226.05929 148.2
[M]- 226.06039 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.