PubChemLite - 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]+	439.42983	219.0
[M+Na]+	461.41177	223.4
[M+NH4]+	456.45637	222.1
[M+K]+	477.38571	219.9
[M-H]-	437.41527	211.7
[M+Na-2H]-	459.39722	223.0
[M]+	438.42200	217.5
[M]-	438.42310	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.42983

219.0

[M+Na]+

461.41177

223.4

[M+NH4]+

456.45637

222.1

[M+K]+

477.38571

219.9

[M-H]-

437.41527

211.7

[M+Na-2H]-

459.39722

223.0

[M]+

438.42200

217.5

[M]-

438.42310

217.5

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