CID 3017826

2-methylbutyl decanoate

Structural Information

Molecular Formula

C₁₅H₃₀O₂

SMILES

CCCCCCCCCC(=O)OCC(C)CC

InChI

InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3

InChIKey

JRJPVFOFQVUVLG-UHFFFAOYSA-N

Compound name

2-methylbutyl decanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 131
Patents: 242.22458 Da
Monoisotopic Mass: 5.9
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]+	243.23186	163.7
[M+Na]+	265.21380	171.9
[M+NH4]+	260.25840	170.0
[M+K]+	281.18774	165.4
[M-H]-	241.21730	162.3
[M+Na-2H]-	263.19925	164.8
[M]+	242.22403	164.2
[M]-	242.22513	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe