CID 292487

4-(methylsulfonyl)pyridine

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CS(=O)(=O)C1=CC=NC=C1
InChI
InChI=1S/C6H7NO2S/c1-10(8,9)6-2-4-7-5-3-6/h2-5H,1H3
InChIKey
QVHPIEJTHBPITM-UHFFFAOYSA-N
Compound name
4-methylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

157.01974 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 130.0
[M+Na]+ 180.00896 142.6
[M+NH4]+ 175.05356 138.3
[M+K]+ 195.98290 135.4
[M-H]- 156.01246 130.8
[M+Na-2H]- 177.99441 136.8
[M]+ 157.01919 132.5
[M]- 157.02029 132.5
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