PubChemLite - Pe(18:0/14:0) (C37H74NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1

InChIKey

RFJQNULIDFTTLL-PGUFJCEWSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] octadecanoate

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]+	692.52248	271.0
[M+Na]+	714.50442	273.9
[M+NH4]+	709.54902	276.0
[M+K]+	730.47836	273.9
[M-H]-	690.50792	261.3
[M+Na-2H]-	712.48987	270.9
[M]+	691.51465	269.5
[M]-	691.51575	269.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

692.52248

271.0

[M+Na]+

714.50442

273.9

[M+NH4]+

709.54902

276.0

[M+K]+

730.47836

273.9

[M-H]-

690.50792

261.3

[M+Na-2H]-

712.48987

270.9

[M]+

691.51465

269.5

[M]-

691.51575

269.5

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

Pe(18:0/14:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe