CID 23194993

55484-53-2

Structural Information

Molecular Formula

C₁₁H₇NO₄

SMILES

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

InChI

InChI=1S/C11H7NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h2-6H,1H2

InChIKey

YOVNLDXKLKJVIV-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 217.0375 Da
Monoisotopic Mass: 2.0
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]+	218.04478	144.9
[M+Na]+	240.02672	156.3
[M+NH4]+	235.07132	151.4
[M+K]+	256.00066	153.2
[M-H]-	216.03022	144.4
[M+Na-2H]-	238.01217	148.1
[M]+	217.03695	146.0
[M]-	217.03805	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe