CID 3018786

78641-42-6

Structural Information

Molecular Formula
C13H11NO7
SMILES
C1CC(=O)N(C1=O)OC(=O)C(C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H11NO7/c15-8-3-1-7(2-4-8)11(12(18)19)13(20)21-14-9(16)5-6-10(14)17/h1-4,11,15H,5-6H2,(H,18,19)
InChIKey
YURJEDJHWHEGRT-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)oxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.05356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06084 159.2
[M+Na]+ 316.04278 165.3
[M-H]- 292.04628 162.2
[M+NH4]+ 311.08738 172.9
[M+K]+ 332.01672 164.0
[M+H-H2O]+ 276.05082 152.4
[M+HCOO]- 338.05176 176.6
[M+CH3COO]- 352.06741 194.9
[M+Na-2H]- 314.02823 157.6
[M]+ 293.05301 159.2
[M]- 293.05411 159.2
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.