CID 4276436

3-(morpholinosulfonyl)pyridine

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
C1COCCN1S(=O)(=O)C2=CN=CC=C2
InChI
InChI=1S/C9H12N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h1-3,8H,4-7H2
InChIKey
BYBGTJZHRACDCL-UHFFFAOYSA-N
Compound name
4-pyridin-3-ylsulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.05687 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.064146 146.5
[M+Na]+ 251.046088 153.4
[M-H]- 227.049594 150.7
[M+NH4]+ 246.090693 160.5
[M+K]+ 267.020028 151.9
[M+H-H2O]+ 211.054130 138.7
[M+HCOO]- 273.055071 159.4
[M+CH3COO]- 287.070721 182.2
[M+Na-2H]- 249.031536 152.6
[M]+ 228.05632142 145.6
[M]- 228.05741858 145.6
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