CID 676510

54585-47-6

Structural Information

Molecular Formula
C8H8N2S
SMILES
CC1=CC(=C(C(=S)N1)C#N)C
InChI
InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
InChIKey
CZRHEROEPICLRO-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

134
Patents

164.04082 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.5
[M+Na]+ 187.03004 142.4
[M+NH4]+ 182.07464 134.9
[M+K]+ 203.00398 131.6
[M-H]- 163.03354 124.2
[M+Na-2H]- 185.01549 133.3
[M]+ 164.04027 129.5
[M]- 164.04137 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe