PubChemLite - Menaquinol-6 (C41H58O2)

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)/CCC=C(C)C)O)O

InChI

InChI=1S/C41H58O2/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/h9-10,16,18,20,22,24,26-28,42-43H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+

InChIKey

ZVENTDGZQVBWNA-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-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]+	583.45094	258.6
[M+Na]+	605.43288	265.4
[M+NH4]+	600.47748	250.4
[M+K]+	621.40682	256.4
[M-H]-	581.43638	257.3
[M+Na-2H]-	603.41833	255.1
[M]+	582.44311	258.7
[M]-	582.44421	258.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.45094

258.6

[M+Na]+

605.43288

265.4

[M+NH4]+

600.47748

250.4

[M+K]+

621.40682

256.4

[M-H]-

581.43638

257.3

[M+Na-2H]-

603.41833

255.1

[M]+

582.44311

258.7

[M]-

582.44421

258.7

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

Menaquinol-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe