CID 170907328

At41534

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]+ 261.05061 153.7
[M+Na]+ 283.03255 164.2
[M-H]- 259.03605 157.5
[M+NH4]+ 278.07715 171.3
[M+K]+ 299.00649 159.8
[M+H-H2O]+ 243.04059 148.0
[M+HCOO]- 305.04153 171.7
[M+CH3COO]- 319.05718 190.3
[M+Na-2H]- 281.01800 153.0
[M]+ 260.04278 152.4
[M]- 260.04388 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.