CID 258820

3092-20-4

Structural Information

Molecular Formula

C₁₅H₁₈O₄

SMILES

CCOC(=O)C1(CC1C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C15H18O4/c1-3-18-13(16)15(14(17)19-4-2)10-12(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

AIBJDWXTNYIAKH-UHFFFAOYSA-N

Compound name

diethyl 2-phenylcyclopropane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5
Patents: 262.1205 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]+	263.12778	162.7
[M+Na]+	285.10972	175.3
[M+NH4]+	280.15432	171.4
[M+K]+	301.08366	169.3
[M-H]-	261.11322	171.5
[M+Na-2H]-	283.09517	172.0
[M]+	262.11995	168.1
[M]-	262.12105	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe