CID 57587961

5-methanesulfonyl-2-methylpyridine

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=NC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C7H9NO2S/c1-6-3-4-7(5-8-6)11(2,9)10/h3-5H,1-2H3
InChIKey
GHUZKFWDASVPEO-UHFFFAOYSA-N
Compound name
2-methyl-5-methylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

171.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 131.6
[M+Na]+ 194.024618 141.9
[M-H]- 170.028124 134.9
[M+NH4]+ 189.069223 151.6
[M+K]+ 209.998558 139.5
[M+H-H2O]+ 154.032660 126.1
[M+HCOO]- 216.033601 149.6
[M+CH3COO]- 230.049251 175.6
[M+Na-2H]- 192.010066 137.4
[M]+ 171.03485142 134.8
[M]- 171.03594858 134.8
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