CID 857499

4-(6-chloropyridine-3-carbonyl)morpholine

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
C1COCCN1C(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2O2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKey
FCXXBTYIFBFZML-UHFFFAOYSA-N
Compound name
(6-chloropyridin-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

226.0509 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 147.0
[M+Na]+ 249.04012 153.9
[M-H]- 225.04362 150.8
[M+NH4]+ 244.08472 161.4
[M+K]+ 265.01406 151.5
[M+H-H2O]+ 209.04816 138.8
[M+HCOO]- 271.04910 159.7
[M+CH3COO]- 285.06475 184.8
[M+Na-2H]- 247.02557 152.5
[M]+ 226.05035 145.7
[M]- 226.05145 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe