CID 50986110
3-demethylubiquinol-8
Structural Information
- Molecular Formula
- C48H74O4
- SMILES
- CC1=C(C(=C(C(=C1O)O)OC)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)/CCC=C(C)C
- InChI
- InChI=1S/C48H74O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,49-51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+
- InChIKey
- QURLIMHPCRKMJP-WDXILIIOSA-N
- Compound name
- 3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,2,4-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 715.56598 | 260.3 |
[M+Na]+ | 737.54792 | 269.4 |
[M-H]- | 713.55142 | 256.7 |
[M+NH4]+ | 732.59252 | 268.4 |
[M+K]+ | 753.52186 | 274.2 |
[M+H-H2O]+ | 697.55596 | 261.1 |
[M+HCOO]- | 759.55690 | 254.4 |
[M+CH3COO]- | 773.57255 | 286.9 |
[M+Na-2H]- | 735.53337 | 247.0 |
[M]+ | 714.55815 | 257.0 |
[M]- | 714.55925 | 257.0 |