PubChemLite - 4,4'-diaponeurosporene (C30H42)

Structural Information

Molecular Formula

SMILES

CC(=CCC/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

InChI

InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+

InChIKey

FPSYVUBUILNSRF-MQMKOTMBSA-N

Compound name

(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene

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]+	403.33592	214.0
[M+Na]+	425.31786	211.5
[M+NH4]+	420.36246	206.5
[M+K]+	441.29180	208.2
[M-H]-	401.32136	199.8
[M+Na-2H]-	423.30331	209.9
[M]+	402.32809	204.4
[M]-	402.32919	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.33592

214.0

[M+Na]+

425.31786

211.5

[M+NH4]+

420.36246

206.5

[M+K]+

441.29180

208.2

[M-H]-

401.32136

199.8

[M+Na-2H]-

423.30331

209.9

[M]+

402.32809

204.4

[M]-

402.32919

204.4

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

4,4'-diaponeurosporene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe