CID 90367

24124-03-6

Structural Information

Molecular Formula

C₁₇H₂₄O₅

SMILES

CCOC(=O)C(C(C)C)(C(=O)OCC)OCC1=CC=CC=C1

InChI

InChI=1S/C17H24O5/c1-5-20-15(18)17(13(3)4,16(19)21-6-2)22-12-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3

InChIKey

LRMLTYOJCFBKLZ-UHFFFAOYSA-N

Compound name

diethyl 2-phenylmethoxy-2-propan-2-ylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 308.16238 Da
Monoisotopic Mass: 3.5
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]+	309.169656	173.6
[M+Na]+	331.151598	177.7
[M-H]-	307.155104	176.3
[M+NH4]+	326.196203	188.1
[M+K]+	347.125538	177.4
[M+H-H2O]+	291.159640	166.7
[M+HCOO]-	353.160581	192.5
[M+CH3COO]-	367.176231	205.2
[M+Na-2H]-	329.137046	175.0
[M]+	308.16183142	179.8
[M]-	308.16292858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe