CID 8201

Methyl stearate

Structural Information

Molecular Formula

C₁₉H₃₈O₂

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3

InChIKey

HPEUJPJOZXNMSJ-UHFFFAOYSA-N

Compound name

methyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 52
References: 27233
Patents: 298.28717 Da
Monoisotopic Mass: 9.0
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]+	299.29445	181.1
[M+Na]+	321.27639	188.8
[M+NH4]+	316.32099	186.8
[M+K]+	337.25033	180.5
[M-H]-	297.27989	179.7
[M+Na-2H]-	319.26184	181.5
[M]+	298.28662	181.5
[M]-	298.28772	181.5

Literature stripe

literature stripe

Patent stripe

patents stripe