Chebi:138600 (C30H38O2)

Structural Information

Molecular Formula

SMILES

CC(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)/C)/C)C

InChI

InChI=1S/C30H38O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-23H,1-7H3,(H,31,32)/b9-8+,17-10+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+

InChIKey

FUIUCBAOBOEADA-ZPZIOZIESA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic 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]+	431.294446	205.6
[M+Na]+	453.276388	220.7
[M-H]-	429.279894	206.0
[M+NH4]+	448.320993	215.6
[M+K]+	469.250328	217.9
[M+H-H2O]+	413.284430	206.5
[M+HCOO]-	475.285371	208.9
[M+CH3COO]-	489.301021	228.6
[M+Na-2H]-	451.261836	199.0
[M]+	430.28662142	204.1
[M]-	430.28771858	204.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

431.294446

205.6

[M+Na]+

453.276388

220.7

[M-H]-

429.279894

206.0

[M+NH4]+

448.320993

215.6

[M+K]+

469.250328

217.9

[M+H-H2O]+

413.284430

206.5

[M+HCOO]-

475.285371

208.9

[M+CH3COO]-

489.301021

228.6

[M+Na-2H]-

451.261836

199.0

[M]+

430.28662142

204.1

[M]-

430.28771858

204.1

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

Chebi:138600

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe