PubChemLite - 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene (C32H54)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+

InChIKey

LYHFPFHWBXEUPX-AHFVBISTSA-N

Compound name

(6E,10E,14E,18E)-2,3,6,10,15,19,22,23-octamethyltetracosa-1,6,10,14,18,23-hexaene

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	225.0
[M+Na]+	461.41177	229.0
[M+NH4]+	456.45637	227.8
[M+K]+	477.38571	226.4
[M-H]-	437.41527	218.0
[M+Na-2H]-	459.39722	220.0
[M]+	438.42200	223.5
[M]-	438.42310	223.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.42983

225.0

[M+Na]+

461.41177

229.0

[M+NH4]+

456.45637

227.8

[M+K]+

477.38571

226.4

[M-H]-

437.41527

218.0

[M+Na-2H]-

459.39722

220.0

[M]+

438.42200

223.5

[M]-

438.42310

223.5

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

3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe