PubChemLite - Pe(p-16:0/14:0) (C35H70NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h27,30,34H,3-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b30-27-/t34-/m1/s1

InChIKey

RMKKROAVVNFRJY-CLCWMZMISA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] tetradecanoate

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]+	648.49628	261.4
[M+Na]+	670.47822	264.9
[M+NH4]+	665.52282	265.1
[M+K]+	686.45216	264.1
[M-H]-	646.48172	250.7
[M+Na-2H]-	668.46367	261.7
[M]+	647.48845	259.5
[M]-	647.48955	259.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.49628

261.4

[M+Na]+

670.47822

264.9

[M+NH4]+

665.52282

265.1

[M+K]+

686.45216

264.1

[M-H]-

646.48172

250.7

[M+Na-2H]-

668.46367

261.7

[M]+

647.48845

259.5

[M]-

647.48955

259.5

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

Pe(p-16:0/14:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe