CID 137945040

2287259-68-9

Structural Information

Molecular Formula
C14H12N2O5
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3C(=O)O
InChI
InChI=1S/C14H12N2O5/c17-11-5-4-10(12(18)15-11)16-6-9-7(13(16)19)2-1-3-8(9)14(20)21/h1-3,10H,4-6H2,(H,20,21)(H,15,17,18)
InChIKey
SHMKKELLXFZKLY-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 162.3
[M+Na]+ 311.06384 169.9
[M-H]- 287.06734 164.8
[M+NH4]+ 306.10844 176.3
[M+K]+ 327.03778 165.5
[M+H-H2O]+ 271.07188 155.1
[M+HCOO]- 333.07282 176.3
[M+CH3COO]- 347.08847 196.3
[M+Na-2H]- 309.04929 161.6
[M]+ 288.07407 158.4
[M]- 288.07517 158.4
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

No patent data available for this compound.