CID 648307

Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H13NO4/c1-2-7-18-11(15)8-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6H,2,7-8H2,1H3
InChIKey
GOGCRSPYAVSORZ-UHFFFAOYSA-N
Compound name
propyl 2-(1,3-dioxoisoindol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

247.08446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 154.5
[M+Na]+ 270.07368 165.4
[M+NH4]+ 265.11828 160.9
[M+K]+ 286.04762 161.9
[M-H]- 246.07718 154.1
[M+Na-2H]- 268.05913 157.3
[M]+ 247.08391 155.6
[M]- 247.08501 155.6
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

No patent data available for this compound.