CID 99557

34071-95-9

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2
InChIKey
KYRUKRFVOACELK-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

5286
Patents

263.07938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 158.5
[M+Na]+ 286.06860 168.4
[M+NH4]+ 281.11320 163.8
[M+K]+ 302.04254 166.0
[M-H]- 262.07210 158.5
[M+Na-2H]- 284.05405 162.0
[M]+ 263.07883 159.4
[M]- 263.07993 159.4
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