CID 122706129
C33-phthiotriol a
Structural Information
- Molecular Formula
- C33H68O3
- SMILES
- CCCCCCCCCCCCCCCCCCCCC[C@H](C[C@@H](CCCC[C@H](C)[C@@H](CC)O)O)O
- InChI
- InChI=1S/C33H68O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h30-36H,4-29H2,1-3H3/t30-,31+,32+,33+/m0/s1
- InChIKey
- LCBMZQAFNALYOG-LDLFXXLYSA-N
- Compound name
- (3R,4S,9R,11R)-4-methyldotriacontane-3,9,11-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 513.52413 | 244.3 |
[M+Na]+ | 535.50607 | 247.5 |
[M-H]- | 511.50957 | 229.0 |
[M+NH4]+ | 530.55067 | 241.1 |
[M+K]+ | 551.48001 | 249.6 |
[M+H-H2O]+ | 495.51411 | 242.4 |
[M+HCOO]- | 557.51505 | 239.5 |
[M+CH3COO]- | 571.53070 | 247.8 |
[M+Na-2H]- | 533.49152 | 227.9 |
[M]+ | 512.51630 | 241.6 |
[M]- | 512.51740 | 241.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.