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 163.2
[M+Na]+ 325.04312 171.8
[M-H]- 301.04662 166.1
[M+NH4]+ 320.08772 176.8
[M+K]+ 341.01706 167.6
[M+H-H2O]+ 285.05116 156.3
[M+HCOO]- 347.05210 177.6
[M+CH3COO]- 361.06775 199.4
[M+Na-2H]- 323.02857 162.2
[M]+ 302.05335 160.5
[M]- 302.05445 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