PubChemLite - (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]+	441.37270	215.5
[M+Na]+	463.35464	228.1
[M-H]-	439.35814	210.6
[M+NH4]+	458.39924	224.2
[M+K]+	479.32858	227.0
[M+H-H2O]+	423.36268	215.2
[M+HCOO]-	485.36362	218.4
[M+CH3COO]-	499.37927	238.0
[M+Na-2H]-	461.34009	210.1
[M]+	440.36487	216.3
[M]-	440.36597	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.37270

215.5

[M+Na]+

463.35464

228.1

[M-H]-

439.35814

210.6

[M+NH4]+

458.39924

224.2

[M+K]+

479.32858

227.0

[M+H-H2O]+

423.36268

215.2

[M+HCOO]-

485.36362

218.4

[M+CH3COO]-

499.37927

238.0

[M+Na-2H]-

461.34009

210.1

[M]+

440.36487

216.3

[M]-

440.36597

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