CID 25010748
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone
Structural Information
- Molecular Formula
- C58H88O3
- SMILES
- CC1=C(C(=O)C(=CC1=O)OC)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/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
- InChIKey
- DLBRMPAESNEOJM-RGIWONJESA-N
- Compound name
- 3-[(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]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 833.68062 | 285.9 |
[M+Na]+ | 855.66256 | 300.1 |
[M-H]- | 831.66606 | 284.9 |
[M+NH4]+ | 850.70716 | 304.1 |
[M+K]+ | 871.63650 | 308.0 |
[M+H-H2O]+ | 815.67060 | 290.6 |
[M+HCOO]- | 877.67154 | 279.8 |
[M+CH3COO]- | 891.68719 | 313.9 |
[M+Na-2H]- | 853.64801 | 274.4 |
[M]+ | 832.67279 | 286.5 |
[M]- | 832.67389 | 286.5 |