CID 6605262

119671-47-5

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

C1COCCN1C2=CC(=O)C=C(O2)Cl

InChI

InChI=1S/C9H10ClNO3/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11/h5-6H,1-4H2

InChIKey

QGZKNCBYDQXMQU-UHFFFAOYSA-N

Compound name

2-chloro-6-morpholin-4-ylpyran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 215.03493 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]+	216.04221	141.2
[M+Na]+	238.02415	156.2
[M+NH4]+	233.06875	149.8
[M+K]+	253.99809	150.1
[M-H]-	214.02765	147.1
[M+Na-2H]-	236.00960	148.3
[M]+	215.03438	145.4
[M]-	215.03548	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe