2,6,10,14,18-pentamethyl-13e-(3-methyl-pent-4-enylidene)-nonadeca-2,6e,10e-triene (C30H52)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H52/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+

InChIKey

BNYPZWFLESHHNE-VZKDKEEGSA-N

Compound name

(6E,10E,13E)-2,6,10,14,18-pentamethyl-13-(3-methylpent-4-enylidene)nonadeca-2,6,10-triene

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]+	413.414176	218.7
[M+Na]+	435.396118	216.7
[M-H]-	411.399624	215.5
[M+NH4]+	430.440723	222.3
[M+K]+	451.370058	210.4
[M+H-H2O]+	395.404160	211.8
[M+HCOO]-	457.405101	213.1
[M+CH3COO]-	471.420751	237.5
[M+Na-2H]-	433.381566	205.0
[M]+	412.40635142	220.9
[M]-	412.40744858	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.414176

218.7

[M+Na]+

435.396118

216.7

[M-H]-

411.399624

215.5

[M+NH4]+

430.440723

222.3

[M+K]+

451.370058

210.4

[M+H-H2O]+

395.404160

211.8

[M+HCOO]-

457.405101

213.1

[M+CH3COO]-

471.420751

237.5

[M+Na-2H]-

433.381566

205.0

[M]+

412.40635142

220.9

[M]-

412.40744858

220.9

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

2,6,10,14,18-pentamethyl-13e-(3-methyl-pent-4-enylidene)-nonadeca-2,6e,10e-triene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe