CID 2063428

53062-98-9

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₂

SMILES

C1COCCN1C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C10H11ClN2O2/c11-9-8(2-1-3-12-9)10(14)13-4-6-15-7-5-13/h1-3H,4-7H2

InChIKey

SPSWDQBZCCVHNI-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 37
Patents: 226.0509 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe