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

3
Patents

272.0797 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 159.6
[M+Na]+ 295.068918 168.2
[M-H]- 271.072424 163.3
[M+NH4]+ 290.113523 175.2
[M+K]+ 311.042858 163.3
[M+H-H2O]+ 255.076960 152.0
[M+HCOO]- 317.077901 176.0
[M+CH3COO]- 331.093551 195.2
[M+Na-2H]- 293.054366 160.2
[M]+ 272.07915142 156.6
[M]- 272.08024858 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

patents stripe