CID 137938

2-monomyristin

Structural Information

Molecular Formula

C₁₇H₃₄O₄

SMILES

CCCCCCCCCCCCCC(=O)OC(CO)CO

InChI

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

InChIKey

TVIMZSOUQXNWHO-UHFFFAOYSA-N

Compound name

1,3-dihydroxypropan-2-yl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1098
Patents: 302.2457 Da
Monoisotopic Mass: 5.1
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]+	303.252976	181.5
[M+Na]+	325.234918	183.0
[M-H]-	301.238424	177.0
[M+NH4]+	320.279523	195.2
[M+K]+	341.208858	180.5
[M+H-H2O]+	285.242960	175.0
[M+HCOO]-	347.243901	197.8
[M+CH3COO]-	361.259551	202.9
[M+Na-2H]-	323.220366	179.2
[M]+	302.24515142	186.8
[M]-	302.24624858	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe