PubChemLite - Pc(15:1(9z)/15:1(9z)) (C38H73NO8P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCC

InChI

InChI=1S/C38H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,36H,6-13,18-35H2,1-5H3/p+1/b16-14-,17-15-/t36-/m1/s1

InChIKey

BQTXNAKXHQSYOW-UYKOKAMASA-O

Compound name

2-[[(2R)-2,3-bis[[(Z)-pentadec-9-enoyl]oxy]propoxy]-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]+	703.51468	271.9
[M+Na]+	725.49662	275.1
[M-H]-	701.50012	268.0
[M+NH4]+	720.54122	280.6
[M+K]+	741.47056	275.6
[M+H-H2O]+	685.50466	257.5
[M+HCOO]-	747.50560	279.5
[M+CH3COO]-	761.52125	275.4
[M+Na-2H]-	723.48207	252.9
[M]+	702.50685	269.8
[M]-	702.50795	269.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

703.51468

271.9

[M+Na]+

725.49662

275.1

[M-H]-

701.50012

268.0

[M+NH4]+

720.54122

280.6

[M+K]+

741.47056

275.6

[M+H-H2O]+

685.50466

257.5

[M+HCOO]-

747.50560

279.5

[M+CH3COO]-

761.52125

275.4

[M+Na-2H]-

723.48207

252.9

[M]+

702.50685

269.8

[M]-

702.50795

269.8

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

Pc(15:1(9z)/15:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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