CID 25195297

2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindoline-5-carboxylic acid

Structural Information

Molecular Formula
C14H10N2O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H10N2O6/c17-10-4-3-9(11(18)15-10)16-12(19)7-2-1-6(14(21)22)5-8(7)13(16)20/h1-2,5,9H,3-4H2,(H,21,22)(H,15,17,18)
InChIKey
YIBCNIAUDQMKRO-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

122
Patents

302.0539 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06118 166.0
[M+Na]+ 325.04312 175.6
[M+NH4]+ 320.08772 169.9
[M+K]+ 341.01706 174.6
[M-H]- 301.04662 164.7
[M+Na-2H]- 323.02857 166.5
[M]+ 302.05335 166.2
[M]- 302.05445 166.2
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