CID 5283468

Monoolein

Structural Information

Molecular Formula

C₂₁H₄₀O₄

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-

InChIKey

RZRNAYUHWVFMIP-KTKRTIGZSA-N

Compound name

2,3-dihydroxypropyl (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 758
References: 131578
Patents: 356.29266 Da
Monoisotopic Mass: 6.5
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]+	357.29994	195.5
[M+Na]+	379.28188	200.4
[M+NH4]+	374.32648	202.9
[M+K]+	395.25582	194.1
[M-H]-	355.28538	191.4
[M+Na-2H]-	377.26733	192.7
[M]+	356.29211	194.4
[M]-	356.29321	194.4

Literature stripe

literature stripe

Patent stripe

patents stripe