PubChemLite - Ps(14:0/14:1(9z)) (C34H64NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC

InChI

InChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30-31H,3-9,11,13-29,35H2,1-2H3,(H,38,39)(H,40,41)/b12-10-/t30-,31+/m1/s1

InChIKey

UJDLXQDMWGXLFK-XJFGLLPISA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-3-tetradecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid

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]+	678.43404	259.9
[M+Na]+	700.41598	263.5
[M+NH4]+	695.46058	266.9
[M+K]+	716.38992	263.6
[M-H]-	676.41948	256.3
[M+Na-2H]-	698.40143	262.4
[M]+	677.42621	260.4
[M]-	677.42731	260.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

678.43404

259.9

[M+Na]+

700.41598

263.5

[M+NH4]+

695.46058

266.9

[M+K]+

716.38992

263.6

[M-H]-

676.41948

256.3

[M+Na-2H]-

698.40143

262.4

[M]+

677.42621

260.4

[M]-

677.42731

260.4

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

Ps(14:0/14:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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