CID 265566

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl acetate

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

359
Patents

205.0375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 138.5
[M+Na]+ 228.02672 148.9
[M-H]- 204.03022 142.5
[M+NH4]+ 223.07132 159.3
[M+K]+ 244.00066 147.1
[M+H-H2O]+ 188.03476 132.8
[M+HCOO]- 250.03570 161.1
[M+CH3COO]- 264.05135 184.1
[M+Na-2H]- 226.01217 142.9
[M]+ 205.03695 141.5
[M]- 205.03805 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