Yierdwvpdsiplw-ptfxnvdksa-n (C32H54)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+

InChIKey

YIERDWVPDSIPLW-PTFXNVDKSA-N

Compound name

(6E,11E,16E)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene

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]+	439.429826	214.2
[M+Na]+	461.411768	227.1
[M-H]-	437.415274	210.5
[M+NH4]+	456.456373	224.1
[M+K]+	477.385708	229.5
[M+H-H2O]+	421.419810	214.4
[M+HCOO]-	483.420751	214.0
[M+CH3COO]-	497.436401	243.2
[M+Na-2H]-	459.397216	207.3
[M]+	438.42200142	216.8
[M]-	438.42309858	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.429826

214.2

[M+Na]+

461.411768

227.1

[M-H]-

437.415274

210.5

[M+NH4]+

456.456373

224.1

[M+K]+

477.385708

229.5

[M+H-H2O]+

421.419810

214.4

[M+HCOO]-

483.420751

214.0

[M+CH3COO]-

497.436401

243.2

[M+Na-2H]-

459.397216

207.3

[M]+

438.42200142

216.8

[M]-

438.42309858

216.8

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

Yierdwvpdsiplw-ptfxnvdksa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe