PubChemLite - 1-(2-methoxy-16z-tricosenyl)-sn-glycero-3-phosphoserine (C30H60NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C\CCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C30H60NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(37-2)25-38-23-27(32)24-39-41(35,36)40-26-29(31)30(33)34/h8-9,27-29,32H,3-7,10-26,31H2,1-2H3,(H,33,34)(H,35,36)/b9-8-/t27-,28?,29+/m1/s1

InChIKey

QBDJBTWFUFKIHA-MDELNOQBSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxytricos-16-enoxy]propoxy]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]+	610.40788	246.3
[M+Na]+	632.38982	247.9
[M-H]-	608.39332	241.0
[M+NH4]+	627.43442	248.1
[M+K]+	648.36376	246.5
[M+H-H2O]+	592.39786	235.4
[M+HCOO]-	654.39880	243.2
[M+CH3COO]-	668.41445	260.0
[M+Na-2H]-	630.37527	227.3
[M]+	609.40005	240.5
[M]-	609.40115	240.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

610.40788

246.3

[M+Na]+

632.38982

247.9

[M-H]-

608.39332

241.0

[M+NH4]+

627.43442

248.1

[M+K]+

648.36376

246.5

[M+H-H2O]+

592.39786

235.4

[M+HCOO]-

654.39880

243.2

[M+CH3COO]-

668.41445

260.0

[M+Na-2H]-

630.37527

227.3

[M]+

609.40005

240.5

[M]-

609.40115

240.5

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

1-(2-methoxy-16z-tricosenyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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