PubChemLite - Beta-hexaprene (C30H48)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)/C)/C)C

InChI

InChI=1S/C30H48/c1-9-26(4)16-11-18-28(6)20-13-22-30(8)24-14-23-29(7)21-12-19-27(5)17-10-15-25(2)3/h9,15,18-19,22-23H,1,4,10-14,16-17,20-21,24H2,2-3,5-8H3/b27-19+,28-18+,29-23+,30-22+

InChIKey

HVNMFMZGDPZXND-ICZYJQKRSA-N

Compound name

(6E,10E,14E,18E)-7,11,15,19,23-pentamethyl-3-methylidenetetracosa-1,6,10,14,18,22-hexaene

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]+	409.38288	215.3
[M+Na]+	431.36482	214.1
[M-H]-	407.36832	212.1
[M+NH4]+	426.40942	218.2
[M+K]+	447.33876	206.1
[M+H-H2O]+	391.37286	208.5
[M+HCOO]-	453.37380	213.8
[M+CH3COO]-	467.38945	234.4
[M+Na-2H]-	429.35027	202.9
[M]+	408.37505	216.7
[M]-	408.37615	216.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.38288

215.3

[M+Na]+

431.36482

214.1

[M-H]-

407.36832

212.1

[M+NH4]+

426.40942

218.2

[M+K]+

447.33876

206.1

[M+H-H2O]+

391.37286

208.5

[M+HCOO]-

453.37380

213.8

[M+CH3COO]-

467.38945

234.4

[M+Na-2H]-

429.35027

202.9

[M]+

408.37505

216.7

[M]-

408.37615

216.7

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

Beta-hexaprene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe