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]+ 260.09175 155.7
[M+Na]+ 282.07369 164.3
[M-H]- 258.07719 159.1
[M+NH4]+ 277.11829 174.1
[M+K]+ 298.04763 161.4
[M+H-H2O]+ 242.08173 149.5
[M+HCOO]- 304.08267 176.1
[M+CH3COO]- 318.09832 196.8
[M+Na-2H]- 280.05914 156.9
[M]+ 259.08392 158.9
[M]- 259.08502 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.