CID 265566

2-(acetyloxy)-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C10H7NO4
SMILES
CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C10H7NO4/c1-6(12)15-11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChIKey
IJRNYIWWGDQEIY-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

346
Patents

205.0375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 138.5
[M+Na]+ 228.026718 148.9
[M-H]- 204.030224 142.5
[M+NH4]+ 223.071323 159.3
[M+K]+ 244.000658 147.1
[M+H-H2O]+ 188.034760 132.8
[M+HCOO]- 250.035701 161.1
[M+CH3COO]- 264.051351 184.1
[M+Na-2H]- 226.012166 142.9
[M]+ 205.03695142 141.5
[M]- 205.03804858 141.5
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