CID 2745803

175277-42-6

Structural Information

Molecular Formula
C8H6N2OS
SMILES
CC(=O)C1=CC=C(C(=S)N1)C#N
InChI
InChI=1S/C8H6N2OS/c1-5(11)7-3-2-6(4-9)8(12)10-7/h2-3H,1H3,(H,10,12)
InChIKey
BMIYKADARYWNMG-UHFFFAOYSA-N
Compound name
6-acetyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.02008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 133.2
[M+Na]+ 201.00930 145.0
[M+NH4]+ 196.05390 137.6
[M+K]+ 216.98324 135.0
[M-H]- 177.01280 126.9
[M+Na-2H]- 198.99475 136.3
[M]+ 178.01953 132.6
[M]- 178.02063 132.6
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

patents stripe