PubChemLite - 26662-94-2 (C39H76NO8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1

InChIKey

FHQVHHIBKUMWTI-OTMQOFQLSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate

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]+	718.53818	275.4
[M+Na]+	740.52012	278.7
[M+NH4]+	735.56472	280.3
[M+K]+	756.49406	278.9
[M-H]-	716.52362	265.8
[M+Na-2H]-	738.50557	275.2
[M]+	717.53035	274.1
[M]-	717.53145	274.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

718.53818

275.4

[M+Na]+

740.52012

278.7

[M+NH4]+

735.56472

280.3

[M+K]+

756.49406

278.9

[M-H]-

716.52362

265.8

[M+Na-2H]-

738.50557

275.2

[M]+

717.53035

274.1

[M]-

717.53145

274.1

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

26662-94-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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