PubChemLite - Pe(p-18:1(11z)/15:0) (C38H74NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-35-37(36-45-47(41,42)44-34-32-39)46-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,30,33,37H,3-12,14,16-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b15-13-,33-30-/t37-/m1/s1

InChIKey

FBIUBIPLMORKCV-MWXRYAQWSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propan-2-yl] pentadecanoate

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]+	688.52754	269.5
[M+Na]+	710.50948	272.5
[M-H]-	686.51298	258.8
[M+NH4]+	705.55408	271.5
[M+K]+	726.48342	272.9
[M+H-H2O]+	670.51752	258.8
[M+HCOO]-	732.51846	272.6
[M+CH3COO]-	746.53411	279.4
[M+Na-2H]-	708.49493	248.6
[M]+	687.51971	264.8
[M]-	687.52081	264.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

688.52754

269.5

[M+Na]+

710.50948

272.5

[M-H]-

686.51298

258.8

[M+NH4]+

705.55408

271.5

[M+K]+

726.48342

272.9

[M+H-H2O]+

670.51752

258.8

[M+HCOO]-

732.51846

272.6

[M+CH3COO]-

746.53411

279.4

[M+Na-2H]-

708.49493

248.6

[M]+

687.51971

264.8

[M]-

687.52081

264.8

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

Pe(p-18:1(11z)/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe