PubChemLite - Menaquinone 6 (C41H56O2)

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)/CCC=C(C)C

InChI

InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+

InChIKey

PFRQBZFETXBLTP-RCIYGOBDSA-N

Compound name

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3-methylnaphthalene-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]+	581.43532	254.2
[M+Na]+	603.41726	252.8
[M-H]-	579.42076	254.3
[M+NH4]+	598.46186	258.8
[M+K]+	619.39120	242.7
[M+H-H2O]+	563.42530	245.4
[M+HCOO]-	625.42624	262.1
[M+CH3COO]-	639.44189	267.2
[M+Na-2H]-	601.40271	238.7
[M]+	580.42749	257.2
[M]-	580.42859	257.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.43532

254.2

[M+Na]+

603.41726

252.8

[M-H]-

579.42076

254.3

[M+NH4]+

598.46186

258.8

[M+K]+

619.39120

242.7

[M+H-H2O]+

563.42530

245.4

[M+HCOO]-

625.42624

262.1

[M+CH3COO]-

639.44189

267.2

[M+Na-2H]-

601.40271

238.7

[M]+

580.42749

257.2

[M]-

580.42859

257.2

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

Menaquinone 6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe