PubChemLite - Menaquinol-8 (C51H74O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O

InChI

InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36,52-53H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,44-32+,45-36+

InChIKey

OIEZRVBFVPGODT-WQWYCSGDSA-N

Compound name

2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-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]+	719.57618	282.4
[M+Na]+	741.55812	284.3
[M+NH4]+	736.60272	281.4
[M+K]+	757.53206	283.3
[M-H]-	717.56162	273.8
[M+Na-2H]-	739.54357	280.9
[M]+	718.56835	280.1
[M]-	718.56945	280.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

719.57618

282.4

[M+Na]+

741.55812

284.3

[M+NH4]+

736.60272

281.4

[M+K]+

757.53206

283.3

[M-H]-

717.56162

273.8

[M+Na-2H]-

739.54357

280.9

[M]+

718.56835

280.1

[M]-

718.56945

280.1

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

Menaquinol-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe