PubChemLite - Lysope(0:0/24:1(15z)) (C29H58NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C29H58NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30/h9-10,28,31H,2-8,11-27,30H2,1H3,(H,33,34)/b10-9-/t28-/m1/s1

InChIKey

URXBHXIAPOQMMQ-YLUWWHAYSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetracos-15-enoate

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]+	564.40238	239.5
[M+Na]+	586.38432	242.5
[M-H]-	562.38782	231.0
[M+NH4]+	581.42892	239.1
[M+K]+	602.35826	239.6
[M+H-H2O]+	546.39236	228.6
[M+HCOO]-	608.39330	243.6
[M+CH3COO]-	622.40895	253.5
[M+Na-2H]-	584.36977	221.2
[M]+	563.39455	233.5
[M]-	563.39565	233.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.40238

239.5

[M+Na]+

586.38432

242.5

[M-H]-

562.38782

231.0

[M+NH4]+

581.42892

239.1

[M+K]+

602.35826

239.6

[M+H-H2O]+

546.39236

228.6

[M+HCOO]-

608.39330

243.6

[M+CH3COO]-

622.40895

253.5

[M+Na-2H]-

584.36977

221.2

[M]+

563.39455

233.5

[M]-

563.39565

233.5

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

Lysope(0:0/24:1(15z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe