CID 57388420
13,14-methylene-docosanoic acid
Structural Information
- Molecular Formula
- C23H44O2
- SMILES
- CCCCCCCCC1CC1CCCCCCCCCCCC(=O)O
- InChI
- InChI=1S/C23H44O2/c1-2-3-4-5-11-14-17-21-20-22(21)18-15-12-9-7-6-8-10-13-16-19-23(24)25/h21-22H,2-20H2,1H3,(H,24,25)
- InChIKey
- KTAYKDBBVGXYBG-UHFFFAOYSA-N
- Compound name
- 12-(2-octylcyclopropyl)dodecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 353.34142 | 192.3 |
[M+Na]+ | 375.32336 | 195.1 |
[M-H]- | 351.32686 | 193.0 |
[M+NH4]+ | 370.36796 | 200.6 |
[M+K]+ | 391.29730 | 189.1 |
[M+H-H2O]+ | 335.33140 | 184.5 |
[M+HCOO]- | 397.33234 | 209.4 |
[M+CH3COO]- | 411.34799 | 220.4 |
[M+Na-2H]- | 373.30881 | 189.3 |
[M]+ | 352.33359 | 201.1 |
[M]- | 352.33469 | 201.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.