CID 3023997

Tetrahydrofurfuryl myristate

Structural Information

Molecular Formula

C₁₉H₃₆O₃

SMILES

CCCCCCCCCCCCCC(=O)OCC1CCCO1

InChI

InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19(20)22-17-18-14-13-16-21-18/h18H,2-17H2,1H3

InChIKey

OKDDONFWHSATNB-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 312.26645 Da
Monoisotopic Mass: 6.8
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]+	313.273726	185.7
[M+Na]+	335.255668	186.7
[M-H]-	311.259174	187.1
[M+NH4]+	330.300273	200.5
[M+K]+	351.229608	185.1
[M+H-H2O]+	295.263710	178.4
[M+HCOO]-	357.264651	203.6
[M+CH3COO]-	371.280301	207.4
[M+Na-2H]-	333.241116	183.9
[M]+	312.26590142	190.5
[M]-	312.26699858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe