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]+ 179.06375 139.0
[M+Na]+ 201.04569 151.0
[M-H]- 177.04919 141.2
[M+NH4]+ 196.09029 156.7
[M+K]+ 217.01963 146.7
[M+H-H2O]+ 161.05373 127.1
[M+HCOO]- 223.05467 152.5
[M+CH3COO]- 237.07032 191.4
[M+Na-2H]- 199.03114 141.1
[M]+ 178.05592 135.1
[M]- 178.05702 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.