CID 14871

Monolaurin

Structural Information

Molecular Formula

C₁₅H₃₀O₄

SMILES

CCCCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3

InChIKey

ARIWANIATODDMH-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 266
References: 61534
Patents: 274.21442 Da
Monoisotopic Mass: 4.2
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]+	275.22170	170.3
[M+Na]+	297.20364	176.3
[M+NH4]+	292.24824	174.6
[M+K]+	313.17758	171.5
[M-H]-	273.20714	166.6
[M+Na-2H]-	295.18909	169.1
[M]+	274.21387	169.5
[M]-	274.21497	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe