CID 23467175

5-sulfanylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CC(=NC=C1S)C#N
InChI
InChI=1S/C6H4N2S/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
InChIKey
KCYZZGIYDOTPDJ-UHFFFAOYSA-N
Compound name
5-sulfanylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

136.00952 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.016796 126.1
[M+Na]+ 158.998738 137.9
[M-H]- 135.002244 129.3
[M+NH4]+ 154.043343 145.5
[M+K]+ 174.972678 135.5
[M+H-H2O]+ 119.006780 113.9
[M+HCOO]- 181.007721 141.7
[M+CH3COO]- 195.023371 184.4
[M+Na-2H]- 156.984186 131.4
[M]+ 136.00897142 122.8
[M]- 136.01006858 122.8
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