CID 53480975

1-myristoleoyl-glycerol

Structural Information

Molecular Formula

C₁₇H₃₂O₄

SMILES

CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m0/s1

InChIKey

ARCRKLOZHGPFFJ-KJPDOMRESA-N

Compound name

[(2S)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 300.23007 Da
Monoisotopic Mass: 4.3
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]+	301.23735	180.1
[M+Na]+	323.21929	182.1
[M-H]-	299.22279	175.7
[M+NH4]+	318.26389	193.9
[M+K]+	339.19323	178.8
[M+H-H2O]+	283.22733	173.7
[M+HCOO]-	345.22827	196.7
[M+CH3COO]-	359.24392	201.4
[M+Na-2H]-	321.20474	177.8
[M]+	300.22952	184.7
[M]-	300.23062	184.7

Literature stripe

literature stripe

Patent stripe

patents stripe