CID 4617748

35750-05-1

Structural Information

Molecular Formula
C13H11NO5
SMILES
CC(=O)OCC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H11NO5/c1-8(15)19-7-9(16)6-14-12(17)10-4-2-3-5-11(10)13(14)18/h2-5H,6-7H2,1H3
InChIKey
VNKCOUFSRAYCHL-UHFFFAOYSA-N
Compound name
[3-(1,3-dioxoisoindol-2-yl)-2-oxopropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.06372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.070996 153.8
[M+Na]+ 284.052938 162.6
[M-H]- 260.056444 157.4
[M+NH4]+ 279.097543 172.0
[M+K]+ 300.026878 160.7
[M+H-H2O]+ 244.060980 147.6
[M+HCOO]- 306.061921 174.7
[M+CH3COO]- 320.077571 195.4
[M+Na-2H]- 282.038386 155.6
[M]+ 261.06317142 158.0
[M]- 261.06426858 158.0
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