1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine (C38H77NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1

InChIKey

UIXXHROAQSBBOV-PSXMRANNSA-O

Compound name

2-[[(2R)-3-hexadecanoyloxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

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]+	707.545976	276.3
[M+Na]+	729.527918	278.3
[M-H]-	705.531424	270.8
[M+NH4]+	724.572523	284.4
[M+K]+	745.501858	279.8
[M+H-H2O]+	689.535960	261.8
[M+HCOO]-	751.536901	282.3
[M+CH3COO]-	765.552551	278.3
[M+Na-2H]-	727.513366	256.2
[M]+	706.53815142	274.6
[M]-	706.53924858	274.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

707.545976

276.3

[M+Na]+

729.527918

278.3

[M-H]-

705.531424

270.8

[M+NH4]+

724.572523

284.4

[M+K]+

745.501858

279.8

[M+H-H2O]+

689.535960

261.8

[M+HCOO]-

751.536901

282.3

[M+CH3COO]-

765.552551

278.3

[M+Na-2H]-

727.513366

256.2

[M]+

706.53815142

274.6

[M]-

706.53924858

274.6

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

1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe