CID 165996807

2703768-04-9

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

3
Patents

316.06955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.076826 167.7
[M+Na]+ 339.058768 175.7
[M-H]- 315.062274 170.3
[M+NH4]+ 334.103373 180.6
[M+K]+ 355.032708 171.3
[M+H-H2O]+ 299.066810 160.6
[M+HCOO]- 361.067751 181.7
[M+CH3COO]- 375.083401 202.3
[M+Na-2H]- 337.044216 166.2
[M]+ 316.06900142 165.3
[M]- 316.07009858 165.3
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