CID 33600

Glycidyl neodecanoate

Structural Information

Molecular Formula

C₁₃H₂₄O₃

SMILES

CCCCCCC(C)(C)C(=O)OCC1CO1

InChI

InChI=1S/C13H24O3/c1-4-5-6-7-8-13(2,3)12(14)16-10-11-9-15-11/h11H,4-10H2,1-3H3

InChIKey

QQWAKSKPSOFJFF-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethyl 2,2-dimethyloctanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4411
Patents: 228.17255 Da
Monoisotopic Mass: 3.7
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]+	229.17983	156.2
[M+Na]+	251.16177	163.1
[M-H]-	227.16527	160.8
[M+NH4]+	246.20637	168.6
[M+K]+	267.13571	162.4
[M+H-H2O]+	211.16981	149.8
[M+HCOO]-	273.17075	175.5
[M+CH3COO]-	287.18640	195.0
[M+Na-2H]-	249.14722	160.8
[M]+	228.17200	164.3
[M]-	228.17310	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe