CID 21933431

1,3-dioxoisoindolin-2-yl propionate

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

CCC(=O)ON1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H9NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6H,2H2,1H3

InChIKey

ZJQHNUUDZCLUIP-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 219.05316 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.06044	145.6
[M+Na]+	242.04238	156.9
[M+NH4]+	237.08698	152.4
[M+K]+	258.01632	153.9
[M-H]-	218.04588	145.3
[M+Na-2H]-	240.02783	148.9
[M]+	219.05261	146.8
[M]-	219.05371	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe