CID 16787282

6-sulfanylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CC(=S)NC=C1C#N
InChI
InChI=1S/C6H4N2S/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKey
LZYRRRJMTSOOJU-UHFFFAOYSA-N
Compound name
6-sulfanylidene-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

136.00952 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01680 128.4
[M+Na]+ 158.99874 140.0
[M-H]- 135.00224 130.3
[M+NH4]+ 154.04334 147.0
[M+K]+ 174.97268 136.2
[M+H-H2O]+ 119.00678 116.5
[M+HCOO]- 181.00772 142.7
[M+CH3COO]- 195.02337 181.3
[M+Na-2H]- 156.98419 133.0
[M]+ 136.00897 122.7
[M]- 136.01007 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