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-methylsulfanyl-3-pyridinyl)-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]+ 239.084876 151.5
[M+Na]+ 261.066818 157.8
[M-H]- 237.070324 155.6
[M+NH4]+ 256.111423 165.4
[M+K]+ 277.040758 156.0
[M+H-H2O]+ 221.074860 143.3
[M+HCOO]- 283.075801 163.9
[M+CH3COO]- 297.091451 187.7
[M+Na-2H]- 259.052266 154.0
[M]+ 238.07705142 150.9
[M]- 238.07814858 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.