CID 8139

Methyl laurate

Structural Information

Molecular Formula

C₁₃H₂₆O₂

SMILES

CCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3

InChIKey

UQDUPQYQJKYHQI-UHFFFAOYSA-N

Compound name

methyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 37
References: 29123
Patents: 214.19328 Da
Monoisotopic Mass: 5.8
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]+	215.20056	154.7
[M+Na]+	237.18250	163.7
[M+NH4]+	232.22710	161.5
[M+K]+	253.15644	156.8
[M-H]-	213.18600	153.7
[M+Na-2H]-	235.16795	156.7
[M]+	214.19273	155.4
[M]-	214.19383	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe