CID 20310447

501379-24-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 130.0
[M+Na]+ 173.01438 141.4
[M-H]- 149.01788 133.0
[M+NH4]+ 168.05898 148.8
[M+K]+ 188.98832 138.7
[M+H-H2O]+ 133.02242 117.5
[M+HCOO]- 195.02336 145.3
[M+CH3COO]- 209.03901 187.1
[M+Na-2H]- 170.99983 134.8
[M]+ 150.02461 127.0
[M]- 150.02571 127.0
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