PubChemLite - N,n'-bis(3,7-dimethyl-2,6-octadienyl)-1,4-cyclohexanebis(methylamine) dihydrochloride (C28H50N2)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C\CNCC1CCC(CC1)CNC/C=C(\CCC=C(C)C)/C)/C)C

InChI

InChI=1S/C28H50N2/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3/b25-17-,26-18-

InChIKey

YZXSUPFBSFKOML-MFYXSQMNSA-N

Compound name

(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine

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]+	415.40468	218.1
[M+Na]+	437.38662	214.1
[M-H]-	413.39012	217.5
[M+NH4]+	432.43122	227.6
[M+K]+	453.36056	207.8
[M+H-H2O]+	397.39466	209.5
[M+HCOO]-	459.39560	230.7
[M+CH3COO]-	473.41125	237.9
[M+Na-2H]-	435.37207	208.3
[M]+	414.39685	213.7
[M]-	414.39795	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.40468

218.1

[M+Na]+

437.38662

214.1

[M-H]-

413.39012

217.5

[M+NH4]+

432.43122

227.6

[M+K]+

453.36056

207.8

[M+H-H2O]+

397.39466

209.5

[M+HCOO]-

459.39560

230.7

[M+CH3COO]-

473.41125

237.9

[M+Na-2H]-

435.37207

208.3

[M]+

414.39685

213.7

[M]-

414.39795

213.7

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

N,n'-bis(3,7-dimethyl-2,6-octadienyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe