CID 15606

Methyl nonanoate

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCCCCC(=O)OC

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

InChIKey

IJXHLVMUNBOGRR-UHFFFAOYSA-N

Compound name

methyl nonanoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 9
References: 3462
Patents: 172.14633 Da
Monoisotopic Mass: 4.1
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]+	173.15361	142.4
[M+Na]+	195.13555	148.2
[M-H]-	171.13905	142.1
[M+NH4]+	190.18015	163.0
[M+K]+	211.10949	147.7
[M+H-H2O]+	155.14359	137.3
[M+HCOO]-	217.14453	164.7
[M+CH3COO]-	231.16018	182.5
[M+Na-2H]-	193.12100	146.2
[M]+	172.14578	146.8
[M]-	172.14688	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe