CID 11214333
Nocardiolactone
Structural Information
- Molecular Formula
- C34H66O2
- SMILES
- CCCCCCCCCCCCCCCCCC[C@H]1[C@@H](OC1=O)CCCCCCCCCCCCC
- InChI
- InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-20-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3/t32-,33-/m0/s1
- InChIKey
- RKOCOEJHUKVQSU-LQJZCPKCSA-N
- Compound name
- (3S,4S)-3-octadecyl-4-tridecyloxetan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 507.51358 | 244.3 |
[M+Na]+ | 529.49552 | 240.1 |
[M-H]- | 505.49902 | 243.4 |
[M+NH4]+ | 524.54012 | 239.6 |
[M+K]+ | 545.46946 | 237.1 |
[M+H-H2O]+ | 489.50356 | 229.6 |
[M+HCOO]- | 551.50450 | 258.5 |
[M+CH3COO]- | 565.52015 | 254.5 |
[M+Na-2H]- | 527.48097 | 235.9 |
[M]+ | 506.50575 | 264.4 |
[M]- | 506.50685 | 264.4 |