CID 5280839

Menaquinol

Structural Information

Molecular Formula
C21H26O2
SMILES
CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC=C(C)C)O)O
InChI
InChI=1S/C21H26O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12,22-23H,7,9,13H2,1-4H3/b15-12+
InChIKey
CZHYZLLLSCZMRL-NTCAYCPXSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylnaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

310.19327 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 178.0
[M+Na]+ 333.18249 190.5
[M+NH4]+ 328.22709 185.0
[M+K]+ 349.15643 182.8
[M-H]- 309.18599 179.5
[M+Na-2H]- 331.16794 181.3
[M]+ 310.19272 180.1
[M]- 310.19382 180.1
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

patents stripe