CID 12411969

65465-66-9

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC(=O)OCC(=O)CCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H13NO5/c1-9(16)20-8-10(17)6-7-15-13(18)11-4-2-3-5-12(11)14(15)19/h2-5H,6-8H2,1H3
InChIKey
IWXLHYLXUILQPZ-UHFFFAOYSA-N
Compound name
[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.086656 158.5
[M+Na]+ 298.068598 166.9
[M-H]- 274.072104 161.9
[M+NH4]+ 293.113203 176.2
[M+K]+ 314.042538 164.8
[M+H-H2O]+ 258.076640 152.1
[M+HCOO]- 320.077581 179.1
[M+CH3COO]- 334.093231 198.4
[M+Na-2H]- 296.054046 159.8
[M]+ 275.07883142 163.1
[M]- 275.07992858 163.1
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.