CID 64674

Myristyl glyceryl ether

Structural Information

Molecular Formula

C₁₇H₃₆O₃

SMILES

CCCCCCCCCCCCCCOCC(CO)O

InChI

InChI=1S/C17H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h17-19H,2-16H2,1H3

InChIKey

JSSKAZULTFHXBH-UHFFFAOYSA-N

Compound name

3-tetradecoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 656
Patents: 288.26645 Da
Monoisotopic Mass: 5.4
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]+	289.27373	179.6
[M+Na]+	311.25567	181.0
[M-H]-	287.25917	174.9
[M+NH4]+	306.30027	193.9
[M+K]+	327.22961	178.0
[M+H-H2O]+	271.26371	173.0
[M+HCOO]-	333.26465	196.4
[M+CH3COO]-	347.28030	201.6
[M+Na-2H]-	309.24112	178.4
[M]+	288.26590	184.8
[M]-	288.26700	184.8

Literature stripe

literature stripe

Patent stripe

patents stripe