CID 21815389

4-benzylmorpholine-2,6-dione

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1C(=O)OC(=O)CN1CC2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c13-10-7-12(8-11(14)15-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

AJENSPKFRMCYIP-UHFFFAOYSA-N

Compound name

4-benzylmorpholine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 205.0739 Da
Monoisotopic Mass: 1.3
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]+	206.08118	142.1
[M+Na]+	228.06312	149.4
[M-H]-	204.06662	147.9
[M+NH4]+	223.10772	158.1
[M+K]+	244.03706	148.1
[M+H-H2O]+	188.07116	134.4
[M+HCOO]-	250.07210	162.0
[M+CH3COO]-	264.08775	183.5
[M+Na-2H]-	226.04857	148.3
[M]+	205.07335	140.6
[M]-	205.07445	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe