PubChemLite - Mg(22:4(7z,10z,13z,16z)/0:0/0:0) (C25H42O4)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-/t24-/m0/s1

InChIKey

UDZUDFKFJCAENZ-UGLSNKNVSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate

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]+	407.31560	210.8
[M+Na]+	429.29754	210.5
[M-H]-	405.30104	205.0
[M+NH4]+	424.34214	206.7
[M+K]+	445.27148	203.5
[M+H-H2O]+	389.30558	203.3
[M+HCOO]-	451.30652	217.3
[M+CH3COO]-	465.32217	220.8
[M+Na-2H]-	427.28299	204.6
[M]+	406.30777	216.0
[M]-	406.30887	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.31560

210.8

[M+Na]+

429.29754

210.5

[M-H]-

405.30104

205.0

[M+NH4]+

424.34214

206.7

[M+K]+

445.27148

203.5

[M+H-H2O]+

389.30558

203.3

[M+HCOO]-

451.30652

217.3

[M+CH3COO]-

465.32217

220.8

[M+Na-2H]-

427.28299

204.6

[M]+

406.30777

216.0

[M]-

406.30887

216.0

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

Mg(22:4(7z,10z,13z,16z)/0:0/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe