PubChemLite - 8-methylmenaquinone-6 (C42H58O2)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=CC=C1)C(=O)C(=C(C2=O)C)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/C42H58O2/c1-30(2)16-10-17-31(3)18-11-19-32(4)20-12-21-33(5)22-13-23-34(6)24-14-25-35(7)28-29-38-37(9)41(43)40-36(8)26-15-27-39(40)42(38)44/h15-16,18,20,22,24,26-28H,10-14,17,19,21,23,25,29H2,1-9H3/b31-18+,32-20+,33-22+,34-24+,35-28+

InChIKey

HAMLBJAJFRKXHQ-RCIYGOBDSA-N

Compound name

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-3,5-dimethylnaphthalene-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]+	595.45094	256.7
[M+Na]+	617.43288	255.8
[M-H]-	593.43638	257.0
[M+NH4]+	612.47748	261.0
[M+K]+	633.40682	245.6
[M+H-H2O]+	577.44092	248.1
[M+HCOO]-	639.44186	264.3
[M+CH3COO]-	653.45751	271.3
[M+Na-2H]-	615.41833	240.2
[M]+	594.44311	260.5
[M]-	594.44421	260.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.45094

256.7

[M+Na]+

617.43288

255.8

[M-H]-

593.43638

257.0

[M+NH4]+

612.47748

261.0

[M+K]+

633.40682

245.6

[M+H-H2O]+

577.44092

248.1

[M+HCOO]-

639.44186

264.3

[M+CH3COO]-

653.45751

271.3

[M+Na-2H]-

615.41833

240.2

[M]+

594.44311

260.5

[M]-

594.44421

260.5

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

8-methylmenaquinone-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe