CID 33979

Dilaurin

Structural Information

Molecular Formula

C₂₇H₅₂O₅

SMILES

CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3

InChIKey

OQQOAWVKVDAJOI-UHFFFAOYSA-N

Compound name

(2-dodecanoyloxy-3-hydroxypropyl) dodecanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 12603
Patents: 456.38147 Da
Monoisotopic Mass: 9.7
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]+	457.38875	228.9
[M+Na]+	479.37069	230.0
[M+NH4]+	474.41529	229.9
[M+K]+	495.34463	228.1
[M-H]-	455.37419	217.0
[M+Na-2H]-	477.35614	230.5
[M]+	456.38092	225.6
[M]-	456.38202	225.6

Literature stripe

literature stripe

Patent stripe

patents stripe