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	219.9
[M+Na]+	463.35464	224.0
[M+NH4]+	458.39924	222.3
[M+K]+	479.32858	221.6
[M-H]-	439.35814	212.8
[M+Na-2H]-	461.34009	224.0
[M]+	440.36487	218.5
[M]-	440.36597	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.37270

219.9

[M+Na]+

463.35464

224.0

[M+NH4]+

458.39924

222.3

[M+K]+

479.32858

221.6

[M-H]-

439.35814

212.8

[M+Na-2H]-

461.34009

224.0

[M]+

440.36487

218.5

[M]-

440.36597

218.5

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