PubChemLite - Pe(p-18:0/15:0) (C38H76NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C38H76NO7P/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/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1

InChIKey

NSTZSTAULFBDON-APMJBGCSSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-1-enoxy]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]+	690.54323	271.2
[M+Na]+	712.52517	274.5
[M+NH4]+	707.56977	274.9
[M+K]+	728.49911	274.3
[M-H]-	688.52867	259.6
[M+Na-2H]-	710.51062	270.6
[M]+	689.53540	269.2
[M]-	689.53650	269.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.54323

271.2

[M+Na]+

712.52517

274.5

[M+NH4]+

707.56977

274.9

[M+K]+

728.49911

274.3

[M-H]-

688.52867

259.6

[M+Na-2H]-

710.51062

270.6

[M]+

689.53540

269.2

[M]-

689.53650

269.2

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

Pe(p-18:0/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe