CID 165431160

2-(2,6-dioxopiperidin-3-yl)-3-oxo-2,3-dihydro-1h-isoindole-5-carbaldehyde

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)C=O
InChI
InChI=1S/C14H12N2O4/c17-7-8-1-2-9-6-16(14(20)10(9)5-8)11-3-4-12(18)15-13(11)19/h1-2,5,7,11H,3-4,6H2,(H,15,18,19)
InChIKey
MVHIDMVASPCRTH-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 159.6
[M+Na]+ 295.06892 168.2
[M-H]- 271.07242 163.3
[M+NH4]+ 290.11352 175.2
[M+K]+ 311.04286 163.3
[M+H-H2O]+ 255.07696 152.0
[M+HCOO]- 317.07790 176.0
[M+CH3COO]- 331.09355 195.2
[M+Na-2H]- 293.05437 160.2
[M]+ 272.07915 156.6
[M]- 272.08025 156.6
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

No patent data available for this compound.