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

7
Patents

302.0539 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.061176 163.2
[M+Na]+ 325.043118 171.8
[M-H]- 301.046624 166.1
[M+NH4]+ 320.087723 176.8
[M+K]+ 341.017058 167.6
[M+H-H2O]+ 285.051160 156.3
[M+HCOO]- 347.052101 177.6
[M+CH3COO]- 361.067751 199.4
[M+Na-2H]- 323.028566 162.2
[M]+ 302.05335142 160.5
[M]- 302.05444858 160.5
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