CID 99116658
3420-36-8
Structural Information
- Molecular Formula
- C22H42O3
- SMILES
- CCCCCCCC[C@H]1[C@H](O1)CCCCCCCCCCCC(=O)O
- InChI
- InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m0/s1
- InChIKey
- NSYDMBURIUSUDH-LEWJYISDSA-N
- Compound name
- 12-[(2R,3S)-3-octyloxiran-2-yl]dodecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.32068 | 192.8 |
[M+Na]+ | 377.30262 | 196.1 |
[M-H]- | 353.30612 | 194.3 |
[M+NH4]+ | 372.34722 | 199.7 |
[M+K]+ | 393.27656 | 191.7 |
[M+H-H2O]+ | 337.31066 | 184.7 |
[M+HCOO]- | 399.31160 | 209.3 |
[M+CH3COO]- | 413.32725 | 219.4 |
[M+Na-2H]- | 375.28807 | 191.2 |
[M]+ | 354.31285 | 203.3 |
[M]- | 354.31395 | 203.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.