CID 292785

1-(2-hydroxy-3-phenoxypropyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC(=O)N(C1=O)CC(COC2=CC=CC=C2)O
InChI
InChI=1S/C13H15NO4/c15-10(8-14-12(16)6-7-13(14)17)9-18-11-4-2-1-3-5-11/h1-5,10,15H,6-9H2
InChIKey
RQRSZRNJLQQNGJ-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3-phenoxypropyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

249.10011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 156.4
[M+Na]+ 272.08933 166.4
[M+NH4]+ 267.13393 162.6
[M+K]+ 288.06327 163.4
[M-H]- 248.09283 157.2
[M+Na-2H]- 270.07478 160.7
[M]+ 249.09956 157.7
[M]- 249.10066 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe