CID 89942677

1547163-38-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe