CID 129847814
5-hexatriacontanone
Structural Information
- Molecular Formula
- C36H72O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC
- InChI
- InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3
- InChIKey
- ACHLEYSDMHROKR-UHFFFAOYSA-N
- Compound name
- hexatriacontan-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 521.56558 | 252.0 |
[M+Na]+ | 543.54752 | 257.8 |
[M-H]- | 519.55102 | 231.4 |
[M+NH4]+ | 538.59212 | 249.5 |
[M+K]+ | 559.52146 | 259.2 |
[M+H-H2O]+ | 503.55556 | 251.3 |
[M+HCOO]- | 565.55650 | 258.8 |
[M+CH3COO]- | 579.57215 | 257.7 |
[M+Na-2H]- | 541.53297 | 235.9 |
[M]+ | 520.55775 | 252.9 |
[M]- | 520.55885 | 252.9 |
Literature stripe
Patent stripe
No patent data available for this compound.