CID 215146

35076-10-9

Structural Information

Molecular Formula

C₁₅H₁₆ClNO₄

SMILES

C1CC(OC1=O)(C2=CC=C(C=C2)Cl)C(=O)N3CCOCC3

InChI

InChI=1S/C15H16ClNO4/c16-12-3-1-11(2-4-12)15(6-5-13(18)21-15)14(19)17-7-9-20-10-8-17/h1-4H,5-10H2

InChIKey

RKHNNZHFZAATOA-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-5-(morpholine-4-carbonyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.07678 Da
Monoisotopic Mass: 1.5
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]+	310.084056	168.9
[M+Na]+	332.065998	175.0
[M-H]-	308.069504	177.8
[M+NH4]+	327.110603	183.4
[M+K]+	348.039938	173.4
[M+H-H2O]+	292.074040	161.7
[M+HCOO]-	354.074981	180.3
[M+CH3COO]-	368.090631	179.8
[M+Na-2H]-	330.051446	170.6
[M]+	309.07623142	168.0
[M]-	309.07732858	168.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.