PubChemLite - 4,4'-diapo-psi,psi-carotene (C30H40)

Structural Information

Molecular Formula

SMILES

CC(=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)/C)/C)C

InChI

InChI=1S/C30H40/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/h9-24H,1-8H3/b10-9+,19-11+,20-12+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+

InChIKey

HGWBSMBLLOMJGT-DADBORHESA-N

Compound name

(4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaene

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]+	401.32028	212.9
[M+Na]+	423.30222	209.2
[M+NH4]+	418.34682	203.7
[M+K]+	439.27616	205.8
[M-H]-	399.30572	197.8
[M+Na-2H]-	421.28767	208.7
[M]+	400.31245	201.9
[M]-	400.31355	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

401.32028

212.9

[M+Na]+

423.30222

209.2

[M+NH4]+

418.34682

203.7

[M+K]+

439.27616

205.8

[M-H]-

399.30572

197.8

[M+Na-2H]-

421.28767

208.7

[M]+

400.31245

201.9

[M]-

400.31355

201.9

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

4,4'-diapo-psi,psi-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe