CID 137949920

2171519-15-4

Structural Information

Molecular Formula
C14H12N2O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H12N2O5/c17-11-4-3-10(12(18)15-11)16-6-8-2-1-7(14(20)21)5-9(8)13(16)19/h1-2,5,10H,3-4,6H2,(H,20,21)(H,15,17,18)
InChIKey
VYEOSXYFNDBTHT-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

288.07462 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08190 164.0
[M+Na]+ 311.06384 173.8
[M+NH4]+ 306.10844 168.9
[M+K]+ 327.03778 172.1
[M-H]- 287.06734 163.4
[M+Na-2H]- 309.04929 165.4
[M]+ 288.07407 164.6
[M]- 288.07517 164.6
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