CID 162341542

2240185-64-0

Structural Information

Molecular Formula

C₁₃H₁₁NO₄

SMILES

CC1(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H11NO4/c1-13(6-7-13)12(17)18-14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5H,6-7H2,1H3

InChIKey

VIPSRDJOEPQYAM-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) 1-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.0688 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]+	246.076076	155.8
[M+Na]+	268.058018	167.4
[M-H]-	244.061524	163.4
[M+NH4]+	263.102623	171.8
[M+K]+	284.031958	163.9
[M+H-H2O]+	228.066060	150.2
[M+HCOO]-	290.067001	176.8
[M+CH3COO]-	304.082651	194.1
[M+Na-2H]-	266.043466	159.5
[M]+	245.06825142	161.3
[M]-	245.06934858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe