PubChemLite - Pe(20:2(11z,14z)/0:0) (C25H48NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

InChI

InChI=1S/C25H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,24,27H,2-5,8,11-23,26H2,1H3,(H,29,30)/b7-6-,10-9-/t24-/m1/s1

InChIKey

QJHRNPQXCMXOOH-XBJNFHHOSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (11Z,14Z)-icosa-11,14-dienoate

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]+	506.32411	223.2
[M+Na]+	528.30605	227.6
[M-H]-	504.30955	217.2
[M+NH4]+	523.35065	223.3
[M+K]+	544.27999	222.6
[M+H-H2O]+	488.31409	212.8
[M+HCOO]-	550.31503	229.8
[M+CH3COO]-	564.33068	240.7
[M+Na-2H]-	526.29150	207.3
[M]+	505.31628	217.1
[M]-	505.31738	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.32411

223.2

[M+Na]+

528.30605

227.6

[M-H]-

504.30955

217.2

[M+NH4]+

523.35065

223.3

[M+K]+

544.27999

222.6

[M+H-H2O]+

488.31409

212.8

[M+HCOO]-

550.31503

229.8

[M+CH3COO]-

564.33068

240.7

[M+Na-2H]-

526.29150

207.3

[M]+

505.31628

217.1

[M]-

505.31738

217.1

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

Pe(20:2(11z,14z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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