CID 3043538

Dihydro-3-(4-morpholinylmethyl)-4-phenyl-2(3h)-furanone

Structural Information

Molecular Formula
C15H19NO3
SMILES
C1COCCN1CC2C(COC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO3/c17-15-13(10-16-6-8-18-9-7-16)14(11-19-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKey
JOMAPGOMSKHXCK-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 159.8
[M+Na]+ 284.125718 164.3
[M-H]- 260.129224 168.3
[M+NH4]+ 279.170323 173.5
[M+K]+ 300.099658 163.5
[M+H-H2O]+ 244.133760 151.6
[M+HCOO]- 306.134701 176.4
[M+CH3COO]- 320.150351 170.9
[M+Na-2H]- 282.111166 161.9
[M]+ 261.13595142 156.3
[M]- 261.13704858 156.3
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.