PubChemLite - Pe(p-16:0/20:3(8z,11z,14z)) (C41H76NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C41H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,33,36,40H,3-10,12,14-16,18,20,23-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b13-11-,19-17-,22-21-,36-33-/t40-/m1/s1

InChIKey

OFLIDIBZDKQXPD-UKFMZXQISA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate

Related CIDs

2D Structure

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]+	726.54323	274.8
[M+Na]+	748.52517	279.3
[M+NH4]+	743.56977	278.3
[M+K]+	764.49911	279.2
[M-H]-	724.52867	264.5
[M+Na-2H]-	746.51062	274.5
[M]+	725.53540	273.4
[M]-	725.53650	273.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

726.54323

274.8

[M+Na]+

748.52517

279.3

[M+NH4]+

743.56977

278.3

[M+K]+

764.49911

279.2

[M-H]-

724.52867

264.5

[M+Na-2H]-

746.51062

274.5

[M]+

725.53540

273.4

[M]-

725.53650

273.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pe(p-16:0/20:3(8z,11z,14z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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