CID 83679159

4-sulfanylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CNC=C(C1=S)C#N
InChI
InChI=1S/C6H4N2S/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,(H,8,9)
InChIKey
WIYHACNEAYWGCM-UHFFFAOYSA-N
Compound name
4-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

136.00952 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.016796 128.4
[M+Na]+ 158.998738 140.0
[M-H]- 135.002244 130.3
[M+NH4]+ 154.043343 147.0
[M+K]+ 174.972678 136.2
[M+H-H2O]+ 119.006780 116.5
[M+HCOO]- 181.007721 142.7
[M+CH3COO]- 195.023371 181.3
[M+Na-2H]- 156.984186 133.0
[M]+ 136.00897142 122.7
[M]- 136.01006858 122.7
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