CID 11223278

738606-43-4

Structural Information

Molecular Formula

C₂₃H₄₂O₅

SMILES

CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC

InChI

InChI=1S/C23H42O5/c1-7-27-20(25)22(3,4)17-13-9-11-15-19(24)16-12-10-14-18-23(5,6)21(26)28-8-2/h7-18H2,1-6H3

InChIKey

LDURYVDWYUCWGK-UHFFFAOYSA-N

Compound name

diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 398.30322 Da
Monoisotopic Mass: 5.7
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]+	399.31050	199.8
[M+Na]+	421.29244	207.9
[M-H]-	397.29594	197.0
[M+NH4]+	416.33704	207.9
[M+K]+	437.26638	206.5
[M+H-H2O]+	381.30048	198.0
[M+HCOO]-	443.30142	211.3
[M+CH3COO]-	457.31707	226.8
[M+Na-2H]-	419.27789	201.4
[M]+	398.30267	204.8
[M]-	398.30377	204.8

Literature stripe

literature stripe

Patent stripe

patents stripe