CID 155896925

2-(allylsulfonyl)-3-methylpyridine

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CC1=C(N=CC=C1)S(=O)(=O)CC=C
InChI
InChI=1S/C9H11NO2S/c1-3-7-13(11,12)9-8(2)5-4-6-10-9/h3-6H,1,7H2,2H3
InChIKey
KPWRHNSVLHLHOR-UHFFFAOYSA-N
Compound name
3-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]+ 198.058336 139.6
[M+Na]+ 220.040278 149.3
[M-H]- 196.043784 142.6
[M+NH4]+ 215.084883 158.5
[M+K]+ 236.014218 145.8
[M+H-H2O]+ 180.048320 133.7
[M+HCOO]- 242.049261 157.1
[M+CH3COO]- 256.064911 180.7
[M+Na-2H]- 218.025726 144.4
[M]+ 197.05051142 142.8
[M]- 197.05160858 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.