CID 9988135

Menaquinone 10

Structural Information

Molecular Formula
C61H88O2
SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/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/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3/b47-26+,48-28+,49-30+,50-32+,51-34+,52-36+,53-38+,54-40+,55-44+
InChIKey
OCQQATZYCNAKQB-UQUNHUMXSA-N
Compound name
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4617
References

643
Patents

852.6784 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 853.68568 282.2
[M+Na]+ 875.66762 298.2
[M-H]- 851.67112 280.4
[M+NH4]+ 870.71222 299.6
[M+K]+ 891.64156 304.4
[M+H-H2O]+ 835.67566 287.9
[M+HCOO]- 897.67660 280.1
[M+CH3COO]- 911.69225 318.3
[M+Na-2H]- 873.65307 271.6
[M]+ 852.67785 282.6
[M]- 852.67895 282.6
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