CID 124151537

Refchem:477316

Structural Information

Molecular Formula

C₂₃H₄₆O₂

SMILES

CCCCCCCCC(CCCCCCCC)COC(=O)C(C)(C)C

InChI

InChI=1S/C23H46O2/c1-6-8-10-12-14-16-18-21(19-17-15-13-11-9-7-2)20-25-22(24)23(3,4)5/h21H,6-20H2,1-5H3

InChIKey

OUQZABZASNQFTG-UHFFFAOYSA-N

Compound name

2-octyldecyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 354.3498 Da
Monoisotopic Mass: 10.1
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]+	355.357076	201.9
[M+Na]+	377.339018	202.6
[M-H]-	353.342524	199.6
[M+NH4]+	372.383623	215.3
[M+K]+	393.312958	199.6
[M+H-H2O]+	337.347060	195.1
[M+HCOO]-	399.348001	217.3
[M+CH3COO]-	413.363651	221.8
[M+Na-2H]-	375.324466	198.2
[M]+	354.34925142	210.0
[M]-	354.35034858	210.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe