PubChemLite - Phytylplastoquinol (C28H48O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O

InChI

InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+/t21-,22-/m1/s1

InChIKey

SUFZKUBNOVDJRR-WGEODTKDSA-N

Compound name

2,3-dimethyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol

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]+	417.37270	214.4
[M+Na]+	439.35464	222.6
[M+NH4]+	434.39924	218.7
[M+K]+	455.32858	215.6
[M-H]-	415.35814	214.1
[M+Na-2H]-	437.34009	213.6
[M]+	416.36487	215.2
[M]-	416.36597	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.37270

214.4

[M+Na]+

439.35464

222.6

[M+NH4]+

434.39924

218.7

[M+K]+

455.32858

215.6

[M-H]-

415.35814

214.1

[M+Na-2H]-

437.34009

213.6

[M]+

416.36487

215.2

[M]-

416.36597

215.2

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

Phytylplastoquinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe