CID 828043

N-(ethoxycarbonyloxy)phthalimide

Structural Information

Molecular Formula

C₁₁H₉NO₅

SMILES

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

InChI

InChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3

InChIKey

VXEAWVMTERBHFX-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 235.04807 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]+	236.05535	148.8
[M+Na]+	258.03729	159.6
[M+NH4]+	253.08189	154.9
[M+K]+	274.01123	157.1
[M-H]-	234.04079	147.9
[M+Na-2H]-	256.02274	151.6
[M]+	235.04752	149.7
[M]-	235.04862	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe