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
2
Annotation Hits

0
References

6
Patents

233.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 148.0
[M+Na]+ 256.05802 157.5
[M-H]- 232.06152 151.7
[M+NH4]+ 251.10262 167.7
[M+K]+ 272.03196 155.2
[M+H-H2O]+ 216.06606 141.9
[M+HCOO]- 278.06700 169.9
[M+CH3COO]- 292.08265 190.1
[M+Na-2H]- 254.04347 151.3
[M]+ 233.06825 151.7
[M]- 233.06935 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