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]+ 137.01680 126.1
[M+Na]+ 158.99874 137.9
[M-H]- 135.00224 129.3
[M+NH4]+ 154.04334 145.5
[M+K]+ 174.97268 135.5
[M+H-H2O]+ 119.00678 113.9
[M+HCOO]- 181.00772 141.7
[M+CH3COO]- 195.02337 184.4
[M+Na-2H]- 156.98419 131.4
[M]+ 136.00897 122.8
[M]- 136.01007 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