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

149
Patents

171.0354 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 131.6
[M+Na]+ 194.02462 141.9
[M-H]- 170.02812 134.9
[M+NH4]+ 189.06922 151.6
[M+K]+ 209.99856 139.5
[M+H-H2O]+ 154.03266 126.1
[M+HCOO]- 216.03360 149.6
[M+CH3COO]- 230.04925 175.6
[M+Na-2H]- 192.01007 137.4
[M]+ 171.03485 134.8
[M]- 171.03595 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