CID 79597

1h-isoindole-1,3(2h)-dione, 2-[2-(acetyloxy)ethyl]-

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC(=O)OCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO4/c1-8(14)17-7-6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3
InChIKey
FFWAFIBEOZWDJZ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

233.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 148.0
[M+Na]+ 256.058018 157.5
[M-H]- 232.061524 151.7
[M+NH4]+ 251.102623 167.7
[M+K]+ 272.031958 155.2
[M+H-H2O]+ 216.066060 141.9
[M+HCOO]- 278.067001 169.9
[M+CH3COO]- 292.082651 190.1
[M+Na-2H]- 254.043466 151.3
[M]+ 233.06825142 151.7
[M]- 233.06934858 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe