PubChemLite - 23z,26z,29z,32z-octatriacontatetraenoic acid (C38H68O2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C38H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-37H2,1H3,(H,39,40)/b7-6-,10-9-,13-12-,16-15-

InChIKey

VBYUCGQGILHSOG-DOFZRALJSA-N

Compound name

(23Z,26Z,29Z,32Z)-octatriaconta-23,26,29,32-tetraenoic acid

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]+	557.52918	250.4
[M+Na]+	579.51112	256.7
[M-H]-	555.51462	232.6
[M+NH4]+	574.55572	247.6
[M+K]+	595.48506	257.1
[M+H-H2O]+	539.51916	248.7
[M+HCOO]-	601.52010	258.3
[M+CH3COO]-	615.53575	257.2
[M+Na-2H]-	577.49657	234.5
[M]+	556.52135	248.9
[M]-	556.52245	248.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.52918

250.4

[M+Na]+

579.51112

256.7

[M-H]-

555.51462

232.6

[M+NH4]+

574.55572

247.6

[M+K]+

595.48506

257.1

[M+H-H2O]+

539.51916

248.7

[M+HCOO]-

601.52010

258.3

[M+CH3COO]-

615.53575

257.2

[M+Na-2H]-

577.49657

234.5

[M]+

556.52135

248.9

[M]-

556.52245

248.9

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

23z,26z,29z,32z-octatriacontatetraenoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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