CID 79050

Monomyristin

Structural Information

Molecular Formula

C₁₇H₃₄O₄

SMILES

CCCCCCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3

InChIKey

DCBSHORRWZKAKO-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 17
References: 17784
Patents: 302.2457 Da
Monoisotopic Mass: 5.2
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]+	303.25298	181.5
[M+Na]+	325.23492	183.0
[M-H]-	301.23842	177.0
[M+NH4]+	320.27952	195.2
[M+K]+	341.20886	180.5
[M+H-H2O]+	285.24296	175.0
[M+HCOO]-	347.24390	197.8
[M+CH3COO]-	361.25955	202.9
[M+Na-2H]-	323.22037	179.2
[M]+	302.24515	186.8
[M]-	302.24625	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe