CID 86080394
5-nonacosylresorcinol
Structural Information
- Molecular Formula
- C35H64O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
- InChI
- InChI=1S/C35H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-30-34(36)32-35(37)31-33/h30-32,36-37H,2-29H2,1H3
- InChIKey
- OXFCQJVRLYHTFG-UHFFFAOYSA-N
- Compound name
- 5-nonacosylbenzene-1,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 517.49794 | 245.3 |
[M+Na]+ | 539.47988 | 242.2 |
[M-H]- | 515.48338 | 241.4 |
[M+NH4]+ | 534.52448 | 250.4 |
[M+K]+ | 555.45382 | 233.3 |
[M+H-H2O]+ | 499.48792 | 235.1 |
[M+HCOO]- | 561.48886 | 258.2 |
[M+CH3COO]- | 575.50451 | 249.4 |
[M+Na-2H]- | 537.46533 | 237.3 |
[M]+ | 516.49011 | 254.4 |
[M]- | 516.49121 | 254.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.