CID 3016209

40674-21-3

Structural Information

Molecular Formula

C₁₄H₁₅NO₅

SMILES

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

InChI

InChI=1S/C14H15NO5/c1-4-19-13(18)14(2,3)20-15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8H,4H2,1-3H3

InChIKey

UNZUMKCIIIFEJI-UHFFFAOYSA-N

Compound name

ethyl 2-(1,3-dioxoisoindol-2-yl)oxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 277.09503 Da
Monoisotopic Mass: 1.8
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]+	278.102306	160.2
[M+Na]+	300.084248	169.0
[M-H]-	276.087754	163.8
[M+NH4]+	295.128853	178.1
[M+K]+	316.058188	167.5
[M+H-H2O]+	260.092290	154.4
[M+HCOO]-	322.093231	179.9
[M+CH3COO]-	336.108881	198.6
[M+Na-2H]-	298.069696	163.7
[M]+	277.09448142	165.6
[M]-	277.09557858	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe