PubChemLite - 34:5(w6) (C34H58O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H58O2/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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-33H2,1H3,(H,35,36)/b7-6-,10-9-,13-12-,16-15-,19-18-

InChIKey

ASKJBTPRRSQTPM-WMPRHZDHSA-N

Compound name

(16Z,19Z,22Z,25Z,28Z)-tetratriaconta-16,19,22,25,28-pentaenoic 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]+	499.45098	234.5
[M+Na]+	521.43292	242.2
[M-H]-	497.43642	219.1
[M+NH4]+	516.47752	232.3
[M+K]+	537.40686	240.5
[M+H-H2O]+	481.44096	233.4
[M+HCOO]-	543.44190	244.9
[M+CH3COO]-	557.45755	244.4
[M+Na-2H]-	519.41837	220.9
[M]+	498.44315	233.3
[M]-	498.44425	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.45098

234.5

[M+Na]+

521.43292

242.2

[M-H]-

497.43642

219.1

[M+NH4]+

516.47752

232.3

[M+K]+

537.40686

240.5

[M+H-H2O]+

481.44096

233.4

[M+HCOO]-

543.44190

244.9

[M+CH3COO]-

557.45755

244.4

[M+Na-2H]-

519.41837

220.9

[M]+

498.44315

233.3

[M]-

498.44425

233.3

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

34:5(w6)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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