CID 45794389

4-[2-(methylsulfanyl)pyridine-3-carbonyl]morpholine

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CSC1=C(C=CC=N1)C(=O)N2CCOCC2
InChI
InChI=1S/C11H14N2O2S/c1-16-10-9(3-2-4-12-10)11(14)13-5-7-15-8-6-13/h2-4H,5-8H2,1H3
InChIKey
XEWSLZWDOZTQGQ-UHFFFAOYSA-N
Compound name
(2-methylsulfanylpyridin-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 151.5
[M+Na]+ 261.06682 157.8
[M-H]- 237.07032 155.6
[M+NH4]+ 256.11142 165.4
[M+K]+ 277.04076 156.0
[M+H-H2O]+ 221.07486 143.3
[M+HCOO]- 283.07580 163.9
[M+CH3COO]- 297.09145 187.7
[M+Na-2H]- 259.05227 154.0
[M]+ 238.07705 150.9
[M]- 238.07815 150.9
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.