CID 819711

6-ethyl-2-mercapto-5-methyl-nicotinonitrile

Structural Information

Molecular Formula
C9H10N2S
SMILES
CCC1=C(C=C(C(=S)N1)C#N)C
InChI
InChI=1S/C9H10N2S/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,3H2,1-2H3,(H,11,12)
InChIKey
VNPLFOUWJMMDOM-UHFFFAOYSA-N
Compound name
6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 139.0
[M+Na]+ 201.045688 151.0
[M-H]- 177.049194 141.2
[M+NH4]+ 196.090293 156.7
[M+K]+ 217.019628 146.7
[M+H-H2O]+ 161.053730 127.1
[M+HCOO]- 223.054671 152.5
[M+CH3COO]- 237.070321 191.4
[M+Na-2H]- 199.031136 141.1
[M]+ 178.05592142 135.1
[M]- 178.05701858 135.1
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.