CID 124079401

8-methylmenaquinol-6

Structural Information

Molecular Formula
C42H60O2
SMILES
CC1=C2C(=CC=C1)C(=C(C(=C2O)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)O
InChI
InChI=1S/C42H60O2/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/h15-16,18,20,22,24,26-28,43-44H,10-14,17,19,21,23,25,29H2,1-9H3/b31-18+,32-20+,33-22+,34-24+,35-28+
InChIKey
OCLDWCUJKRHBTH-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-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.45935 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.46663 262.5
[M+Na]+ 619.44857 269.6
[M+NH4]+ 614.49317 255.2
[M+K]+ 635.42251 260.5
[M-H]- 595.45207 261.3
[M+Na-2H]- 617.43402 258.6
[M]+ 596.45880 262.7
[M]- 596.45990 262.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.