CID 71756439

2-(3,5-dioxohexyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C14H13NO4
SMILES
CC(=O)CC(=O)CCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H13NO4/c1-9(16)8-10(17)6-7-15-13(18)11-4-2-3-5-12(11)14(15)19/h2-5H,6-8H2,1H3
InChIKey
CALZWUSDFAJGRO-UHFFFAOYSA-N
Compound name
2-(3,5-dioxohexyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 155.7
[M+Na]+ 282.073688 164.3
[M-H]- 258.077194 159.1
[M+NH4]+ 277.118293 174.1
[M+K]+ 298.047628 161.4
[M+H-H2O]+ 242.081730 149.5
[M+HCOO]- 304.082671 176.1
[M+CH3COO]- 318.098321 196.8
[M+Na-2H]- 280.059136 156.9
[M]+ 259.08392142 158.9
[M]- 259.08501858 158.9
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.