CID 165996807

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl]acetic acid

Structural Information

Molecular Formula
C15H12N2O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC(=C3C2=O)CC(=O)O
InChI
InChI=1S/C15H12N2O6/c18-10-5-4-9(13(21)16-10)17-14(22)8-3-1-2-7(6-11(19)20)12(8)15(17)23/h1-3,9H,4-6H2,(H,19,20)(H,16,18,21)
InChIKey
UUKZKKOHDFZNEB-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.06955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07683 170.3
[M+Na]+ 339.05877 179.7
[M+NH4]+ 334.10337 174.0
[M+K]+ 355.03271 178.5
[M-H]- 315.06227 169.0
[M+Na-2H]- 337.04422 170.6
[M]+ 316.06900 170.5
[M]- 316.07010 170.5
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

patents stripe