CID 39082

42013-30-9

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1COCCN1C(=O)C2CC(C(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C15H17NO4/c17-14(16-6-8-19-9-7-16)13-10-12(15(18)20-13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
KJTVROXSLJVPOO-UHFFFAOYSA-N
Compound name
5-(morpholine-4-carbonyl)-3-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 162.6
[M+Na]+ 298.10497 173.8
[M+NH4]+ 293.14957 169.7
[M+K]+ 314.07891 170.8
[M-H]- 274.10847 168.8
[M+Na-2H]- 296.09042 167.5
[M]+ 275.11520 165.7
[M]- 275.11630 165.7
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

No patent data available for this compound.