CID 170907328

2923840-37-1

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1C(C(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C12H8N2O5/c15-7-3-1-2-5-9(7)12(19)14(11(5)18)6-4-8(16)13-10(6)17/h1-3,6,15H,4H2,(H,13,16,17)
InChIKey
RCCWDFRIPXJHML-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.050606 153.7
[M+Na]+ 283.032548 164.2
[M-H]- 259.036054 157.5
[M+NH4]+ 278.077153 171.3
[M+K]+ 299.006488 159.8
[M+H-H2O]+ 243.040590 148.0
[M+HCOO]- 305.041531 171.7
[M+CH3COO]- 319.057181 190.3
[M+Na-2H]- 281.017996 153.0
[M]+ 260.04278142 152.4
[M]- 260.04387858 152.4
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.