CID 59455874

5-(methylsulfanyl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H6N2S
SMILES
CSC1=CN=C(C=C1)C#N
InChI
InChI=1S/C7H6N2S/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChIKey
SWCWUMYYZJHKIN-UHFFFAOYSA-N
Compound name
5-methylsulfanylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

150.02516 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 126.2
[M+Na]+ 173.01438 139.1
[M+NH4]+ 168.05898 132.2
[M+K]+ 188.98832 127.9
[M-H]- 149.01788 121.5
[M+Na-2H]- 170.99983 131.2
[M]+ 150.02461 126.4
[M]- 150.02571 126.4
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