CID 155896418

2-(allylsulfonyl)-5-methylpyridine

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CC1=CN=C(C=C1)S(=O)(=O)CC=C
InChI
InChI=1S/C9H11NO2S/c1-3-6-13(11,12)9-5-4-8(2)7-10-9/h3-5,7H,1,6H2,2H3
InChIKey
RXGMAWPRILOZLK-UHFFFAOYSA-N
Compound name
5-methyl-2-prop-2-enylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 139.6
[M+Na]+ 220.04028 149.3
[M-H]- 196.04378 142.6
[M+NH4]+ 215.08488 158.5
[M+K]+ 236.01422 145.8
[M+H-H2O]+ 180.04832 133.7
[M+HCOO]- 242.04926 157.1
[M+CH3COO]- 256.06491 180.7
[M+Na-2H]- 218.02573 144.4
[M]+ 197.05051 142.8
[M]- 197.05161 142.8
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

No patent data available for this compound.