CID 10131259
204254-96-6
Structural Information
- Molecular Formula
- C14H22O4
- SMILES
- CCC(CC)O[C@@H]1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC
- InChI
- InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
- InChIKey
- XZXCGRFGEVXWIT-FRRDWIJNSA-N
- Compound name
- ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.15909 | 160.0 |
[M+Na]+ | 277.14103 | 167.9 |
[M-H]- | 253.14453 | 165.6 |
[M+NH4]+ | 272.18563 | 172.5 |
[M+K]+ | 293.11497 | 166.8 |
[M+H-H2O]+ | 237.14907 | 153.5 |
[M+HCOO]- | 299.15001 | 178.0 |
[M+CH3COO]- | 313.16566 | 200.3 |
[M+Na-2H]- | 275.12648 | 163.0 |
[M]+ | 254.15126 | 167.9 |
[M]- | 254.15236 | 167.9 |