CID 416806

3-methanesulfonylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

532
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 127.8
[M+Na]+ 180.00896 137.7
[M-H]- 156.01246 130.9
[M+NH4]+ 175.05356 148.1
[M+K]+ 195.98290 135.6
[M+H-H2O]+ 140.01700 122.2
[M+HCOO]- 202.01794 146.2
[M+CH3COO]- 216.03359 171.4
[M+Na-2H]- 177.99441 134.7
[M]+ 157.01919 130.3
[M]- 157.02029 130.3
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