PubChemLite - 325171-59-3 (C32H67NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h31,34H,5-30H2,1-4H3/p+1/t31-/m1/s1

InChIKey

SKJMUADLQLZAGH-WJOKGBTCSA-O

Compound name

2-[hydroxy-[(2R)-2-hydroxy-3-tetracosanoyloxypropoxy]phosphoryl]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]+	609.47278	254.7
[M+Na]+	631.45472	256.1
[M-H]-	607.45822	248.0
[M+NH4]+	626.49932	257.9
[M+K]+	647.42866	255.2
[M+H-H2O]+	591.46276	238.8
[M+HCOO]-	653.46370	263.1
[M+CH3COO]-	667.47935	258.9
[M+Na-2H]-	629.44017	235.6
[M]+	608.46495	251.0
[M]-	608.46605	251.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.47278

254.7

[M+Na]+

631.45472

256.1

[M-H]-

607.45822

248.0

[M+NH4]+

626.49932

257.9

[M+K]+

647.42866

255.2

[M+H-H2O]+

591.46276

238.8

[M+HCOO]-

653.46370

263.1

[M+CH3COO]-

667.47935

258.9

[M+Na-2H]-

629.44017

235.6

[M]+

608.46495

251.0

[M]-

608.46605

251.0

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

325171-59-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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