PubChemLite - Ps(20:1(11z)/0:0) (C26H50NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C26H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)34-20-23(28)21-35-37(32,33)36-22-24(27)26(30)31/h9-10,23-24,28H,2-8,11-22,27H2,1H3,(H,30,31)(H,32,33)/b10-9-/t23-,24+/m1/s1

InChIKey

WQWSUENXYNSINA-KCVNTPOGSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-11-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]+	552.32958	230.1
[M+Na]+	574.31152	233.2
[M-H]-	550.31502	227.3
[M+NH4]+	569.35612	232.5
[M+K]+	590.28546	229.6
[M+H-H2O]+	534.31956	219.8
[M+HCOO]-	596.32050	229.6
[M+CH3COO]-	610.33615	247.6
[M+Na-2H]-	572.29697	213.5
[M]+	551.32175	224.1
[M]-	551.32285	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.32958

230.1

[M+Na]+

574.31152

233.2

[M-H]-

550.31502

227.3

[M+NH4]+

569.35612

232.5

[M+K]+

590.28546

229.6

[M+H-H2O]+

534.31956

219.8

[M+HCOO]-

596.32050

229.6

[M+CH3COO]-

610.33615

247.6

[M+Na-2H]-

572.29697

213.5

[M]+

551.32175

224.1

[M]-

551.32285

224.1

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

Ps(20:1(11z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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