CID 545729

Methoxyacetic acid, 2-tetradecyl ester

Structural Information

Molecular Formula

C₁₇H₃₄O₃

SMILES

CCCCCCCCCCCCC(C)OC(=O)COC

InChI

InChI=1S/C17H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(18)15-19-3/h16H,4-15H2,1-3H3

InChIKey

XNUNYMFXCQTEMD-UHFFFAOYSA-N

Compound name

tetradecan-2-yl 2-methoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.2508 Da
Monoisotopic Mass: 6.6
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]+	287.258076	178.2
[M+Na]+	309.240018	180.7
[M-H]-	285.243524	176.6
[M+NH4]+	304.284623	194.0
[M+K]+	325.213958	179.3
[M+H-H2O]+	269.248060	171.5
[M+HCOO]-	331.249001	197.3
[M+CH3COO]-	345.264651	206.2
[M+Na-2H]-	307.225466	176.8
[M]+	286.25025142	185.9
[M]-	286.25134858	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe