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

7491
Patents

263.07938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.086656 155.8
[M+Na]+ 286.068598 163.1
[M-H]- 262.072104 160.0
[M+NH4]+ 281.113203 171.9
[M+K]+ 302.042538 160.7
[M+H-H2O]+ 246.076640 148.7
[M+HCOO]- 308.077581 176.2
[M+CH3COO]- 322.093231 191.4
[M+Na-2H]- 284.054046 156.5
[M]+ 263.07883142 156.6
[M]- 263.07992858 156.6
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