CID 25015436

1061605-21-7

Structural Information

Molecular Formula
C15H12N2O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)O
InChI
InChI=1S/C15H12N2O7/c18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
InChIKey
ZVWIXIGBWIEDFO-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

517
Patents

332.06445 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07173 169.5
[M+Na]+ 355.05367 177.3
[M-H]- 331.05717 172.2
[M+NH4]+ 350.09827 181.7
[M+K]+ 371.02761 173.6
[M+H-H2O]+ 315.06171 162.3
[M+HCOO]- 377.06265 183.7
[M+CH3COO]- 391.07830 204.8
[M+Na-2H]- 353.03912 168.3
[M]+ 332.06390 168.6
[M]- 332.06500 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe