CID 92926

2277-23-8

Structural Information

Molecular Formula

C₁₃H₂₆O₄

SMILES

CCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3

InChIKey

LKUNXBRZDFMZOK-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl decanoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 52
References: 17897
Patents: 246.1831 Da
Monoisotopic Mass: 3.1
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]+	247.190376	163.5
[M+Na]+	269.172318	166.7
[M-H]-	245.175824	159.7
[M+NH4]+	264.216923	179.4
[M+K]+	285.146258	165.1
[M+H-H2O]+	229.180360	157.7
[M+HCOO]-	291.181301	181.1
[M+CH3COO]-	305.196951	191.0
[M+Na-2H]-	267.157766	163.3
[M]+	246.18255142	167.3
[M]-	246.18364858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe