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 162.1
[M+Na]+ 298.10497 166.5
[M-H]- 274.10847 170.8
[M+NH4]+ 293.14957 175.0
[M+K]+ 314.07891 166.2
[M+H-H2O]+ 258.11301 154.0
[M+HCOO]- 320.11395 178.1
[M+CH3COO]- 334.12960 194.9
[M+Na-2H]- 296.09042 163.2
[M]+ 275.11520 158.7
[M]- 275.11630 158.7
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.