PubChemLite - Lysopc(22:1(13z)) (C30H61NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h12-13,29,32H,5-11,14-28H2,1-4H3/p+1/b13-12-/t29-/m1/s1

InChIKey

PAFOXYLFALKPOE-BKAVPCLVSA-O

Compound name

2-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-hydroxypropoxy]-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]+	579.42588	245.3
[M+Na]+	601.40782	247.7
[M-H]-	577.41132	240.1
[M+NH4]+	596.45242	248.9
[M+K]+	617.38176	245.5
[M+H-H2O]+	561.41586	229.7
[M+HCOO]-	623.41680	255.3
[M+CH3COO]-	637.43245	251.7
[M+Na-2H]-	599.39327	227.6
[M]+	578.41805	241.4
[M]-	578.41915	241.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.42588

245.3

[M+Na]+

601.40782

247.7

[M-H]-

577.41132

240.1

[M+NH4]+

596.45242

248.9

[M+K]+

617.38176

245.5

[M+H-H2O]+

561.41586

229.7

[M+HCOO]-

623.41680

255.3

[M+CH3COO]-

637.43245

251.7

[M+Na-2H]-

599.39327

227.6

[M]+

578.41805

241.4

[M]-

578.41915

241.4

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

Lysopc(22:1(13z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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