PubChemLite - Menaquinone 8 (C51H72O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/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

InChI

InChI=1S/C51H72O2/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/h11-12,20,22,24,26,28,30,32,34-36H,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

LXKDFTDVRVLXFY-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-dione

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]+	717.56048	282.5
[M+Na]+	739.54242	284.9
[M+NH4]+	734.58702	282.7
[M+K]+	755.51636	284.0
[M-H]-	715.54592	274.6
[M+Na-2H]-	737.52787	281.6
[M]+	716.55265	280.9
[M]-	716.55375	280.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.56048

282.5

[M+Na]+

739.54242

284.9

[M+NH4]+

734.58702

282.7

[M+K]+

755.51636

284.0

[M-H]-

715.54592

274.6

[M+Na-2H]-

737.52787

281.6

[M]+

716.55265

280.9

[M]-

716.55375

280.9

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

Menaquinone 8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe