CID 9921382

Glyceryl 1-undecylenate

Structural Information

Molecular Formula

C₁₄H₂₆O₄

SMILES

C=CCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h2,13,15-16H,1,3-12H2

InChIKey

GJVUMEONPPTZEY-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2285
Patents: 258.1831 Da
Monoisotopic Mass: 3.1
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]+	259.190376	166.4
[M+Na]+	281.172318	169.5
[M-H]-	257.175824	162.5
[M+NH4]+	276.216923	181.7
[M+K]+	297.146258	167.0
[M+H-H2O]+	241.180360	160.5
[M+HCOO]-	303.181301	183.9
[M+CH3COO]-	317.196951	193.2
[M+Na-2H]-	279.157766	165.7
[M]+	258.18255142	169.9
[M]-	258.18364858	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe