PubChemLite - Schembl2835876 (C30H44)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H44/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/h9-11,13,15-19,21,23-24H,12,14,20,22H2,1-8H3/b10-9+,19-11+,21-13+,27-17+,28-18+,29-23+,30-24+

InChIKey

QSLXXAZXUYYJCO-IMFKHJNASA-N

Compound name

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

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]+	405.35158	211.5
[M+Na]+	427.33352	211.3
[M-H]-	403.33702	208.7
[M+NH4]+	422.37812	216.9
[M+K]+	443.30746	202.2
[M+H-H2O]+	387.34156	205.1
[M+HCOO]-	449.34250	213.5
[M+CH3COO]-	463.35815	230.2
[M+Na-2H]-	425.31897	199.4
[M]+	404.34375	211.2
[M]-	404.34485	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.35158

211.5

[M+Na]+

427.33352

211.3

[M-H]-

403.33702

208.7

[M+NH4]+

422.37812

216.9

[M+K]+

443.30746

202.2

[M+H-H2O]+

387.34156

205.1

[M+HCOO]-

449.34250

213.5

[M+CH3COO]-

463.35815

230.2

[M+Na-2H]-

425.31897

199.4

[M]+

404.34375

211.2

[M]-

404.34485

211.3

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

Schembl2835876

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe