CID 4386419

52505-45-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

180
Patents

136.00952 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01680 123.1
[M+Na]+ 158.99874 135.7
[M+NH4]+ 154.04334 128.7
[M+K]+ 174.97268 124.8
[M-H]- 135.00224 117.7
[M+Na-2H]- 156.98419 127.6
[M]+ 136.00897 122.9
[M]- 136.01007 122.9
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