CID 12498584

343319-60-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

CC(=C)CON1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11NO3/c1-8(2)7-16-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6H,1,7H2,2H3

InChIKey

QESPYTJGALKCRL-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoxy)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 217.0739 Da
Monoisotopic Mass: 2.6
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]+	218.08118	145.0
[M+Na]+	240.06312	154.6
[M-H]-	216.06662	148.7
[M+NH4]+	235.10772	165.4
[M+K]+	256.03706	151.7
[M+H-H2O]+	200.07116	139.0
[M+HCOO]-	262.07210	166.7
[M+CH3COO]-	276.08775	188.6
[M+Na-2H]-	238.04857	148.2
[M]+	217.07335	147.4
[M]-	217.07445	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe