CID 66973

Hexadecanoic acid, 2-methoxyethyl ester

Structural Information

Molecular Formula

C₁₉H₃₈O₃

SMILES

CCCCCCCCCCCCCCCC(=O)OCCOC

InChI

InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)22-18-17-21-2/h3-18H2,1-2H3

InChIKey

XSZLSYXBQSOQJE-UHFFFAOYSA-N

Compound name

2-methoxyethyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 314.2821 Da
Monoisotopic Mass: 7.3
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]+	315.289376	186.5
[M+Na]+	337.271318	188.4
[M-H]-	313.274824	184.4
[M+NH4]+	332.315923	201.3
[M+K]+	353.245258	186.1
[M+H-H2O]+	297.279360	179.3
[M+HCOO]-	359.280301	205.9
[M+CH3COO]-	373.295951	211.3
[M+Na-2H]-	335.256766	185.4
[M]+	314.28155142	195.7
[M]-	314.28264858	195.7

Literature stripe

literature stripe

Patent stripe

patents stripe