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

50
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.1
[M+Na]+ 228.063118 149.4
[M-H]- 204.066624 147.9
[M+NH4]+ 223.107723 158.1
[M+K]+ 244.037058 148.1
[M+H-H2O]+ 188.071160 134.4
[M+HCOO]- 250.072101 162.0
[M+CH3COO]- 264.087751 183.5
[M+Na-2H]- 226.048566 148.3
[M]+ 205.07335142 140.6
[M]- 205.07444858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe