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

102
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 177.4
[M+Na]+ 333.18249 183.9
[M-H]- 309.18599 178.9
[M+NH4]+ 328.22709 192.6
[M+K]+ 349.15643 177.7
[M+H-H2O]+ 293.19053 171.1
[M+HCOO]- 355.19147 193.5
[M+CH3COO]- 369.20712 207.4
[M+Na-2H]- 331.16794 176.2
[M]+ 310.19272 178.2
[M]- 310.19382 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.