CID 118486

Monolauryl succinate

Structural Information

Molecular Formula

C₁₆H₃₀O₄

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)O

InChI

InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h2-14H2,1H3,(H,17,18)

InChIKey

LWYAUHJRUCQFCX-UHFFFAOYSA-N

Compound name

4-dodecoxy-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3049
Patents: 286.21442 Da
Monoisotopic Mass: 5.0
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]+	287.22170	174.9
[M+Na]+	309.20364	177.7
[M-H]-	285.20714	172.1
[M+NH4]+	304.24824	189.9
[M+K]+	325.17758	175.6
[M+H-H2O]+	269.21168	168.5
[M+HCOO]-	331.21262	193.3
[M+CH3COO]-	345.22827	201.7
[M+Na-2H]-	307.18909	173.7
[M]+	286.21387	181.1
[M]-	286.21497	181.1

Literature stripe

literature stripe

Patent stripe

patents stripe