2,6,10,14,18-pentamethyl-13e-(3-methyl-pent-4-enylidene)-nonadeca-2,6e,10e,17-tetraene (C30H50)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H50/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/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+

InChIKey

JCWJDRJIYCBBNM-VZKDKEEGSA-N

Compound name

(6E,10E,13E)-2,6,10,14,18-pentamethyl-13-(3-methylpent-4-enylidene)nonadeca-2,6,10,17-tetraene

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]+	411.398546	216.6
[M+Na]+	433.380488	215.0
[M-H]-	409.383994	213.5
[M+NH4]+	428.425093	220.8
[M+K]+	449.354428	208.2
[M+H-H2O]+	393.388530	209.9
[M+HCOO]-	455.389471	212.1
[M+CH3COO]-	469.405121	236.0
[M+Na-2H]-	431.365936	203.1
[M]+	410.39072142	218.1
[M]-	410.39181858	218.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.398546

216.6

[M+Na]+

433.380488

215.0

[M-H]-

409.383994

213.5

[M+NH4]+

428.425093

220.8

[M+K]+

449.354428

208.2

[M+H-H2O]+

393.388530

209.9

[M+HCOO]-

455.389471

212.1

[M+CH3COO]-

469.405121

236.0

[M+Na-2H]-

431.365936

203.1

[M]+

410.39072142

218.1

[M]-

410.39181858

218.1

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,17-tetraene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe