(4z,8z,12z,16z,20z)-4,8,12,16,20-pentamethyl-24-oxopentacosa-4,8,12,16,20-pentaenal (C30H48O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H48O2/c1-25(14-8-16-27(3)18-10-20-29(5)22-12-24-31)13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)32/h13,16-17,20-21,24H,7-12,14-15,18-19,22-23H2,1-6H3/b25-13-,26-17-,27-16-,28-21-,29-20-

InChIKey

GNTMGONHHNIIEZ-SPRGFVSNSA-N

Compound name

(4Z,8Z,12Z,16Z,20Z)-4,8,12,16,20-pentamethyl-24-oxopentacosa-4,8,12,16,20-pentaenal

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]+	441.372696	215.5
[M+Na]+	463.354638	228.1
[M-H]-	439.358144	210.6
[M+NH4]+	458.399243	224.2
[M+K]+	479.328578	227.0
[M+H-H2O]+	423.362680	215.2
[M+HCOO]-	485.363621	218.4
[M+CH3COO]-	499.379271	238.0
[M+Na-2H]-	461.340086	210.1
[M]+	440.36487142	216.3
[M]-	440.36596858	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.372696

215.5

[M+Na]+

463.354638

228.1

[M-H]-

439.358144

210.6

[M+NH4]+

458.399243

224.2

[M+K]+

479.328578

227.0

[M+H-H2O]+

423.362680

215.2

[M+HCOO]-

485.363621

218.4

[M+CH3COO]-

499.379271

238.0

[M+Na-2H]-

461.340086

210.1

[M]+

440.36487142

216.3

[M]-

440.36596858

216.3

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

(4z,8z,12z,16z,20z)-4,8,12,16,20-pentamethyl-24-oxopentacosa-4,8,12,16,20-pentaenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe