PubChemLite - Aea-p (C22H38NO5P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)O

InChI

InChI=1S/C22H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28-29(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H2,25,26,27)/b7-6-,10-9-,13-12-,16-15-

InChIKey

PZPHIQQEQWCEGG-DOFZRALJSA-N

Compound name

2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl dihydrogen phosphate

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]+	428.25603	208.0
[M+Na]+	450.23797	214.9
[M-H]-	426.24147	202.5
[M+NH4]+	445.28257	206.9
[M+K]+	466.21191	207.7
[M+H-H2O]+	410.24601	197.8
[M+HCOO]-	472.24695	220.6
[M+CH3COO]-	486.26260	224.7
[M+Na-2H]-	448.22342	194.7
[M]+	427.24820	202.1
[M]-	427.24930	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.25603

208.0

[M+Na]+

450.23797

214.9

[M-H]-

426.24147

202.5

[M+NH4]+

445.28257

206.9

[M+K]+

466.21191

207.7

[M+H-H2O]+

410.24601

197.8

[M+HCOO]-

472.24695

220.6

[M+CH3COO]-

486.26260

224.7

[M+Na-2H]-

448.22342

194.7

[M]+

427.24820

202.1

[M]-

427.24930

202.1

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

Aea-p

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe