CID 21351046
Meochbzo5ch
Structural Information
- Molecular Formula
- C25H38O3
- SMILES
- CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)OC
- InChI
- InChI=1S/C25H38O3/c1-3-4-5-6-19-7-15-24(16-8-19)28-25(26)22-11-9-20(10-12-22)21-13-17-23(27-2)18-14-21/h9-12,19,21,23-24H,3-8,13-18H2,1-2H3
- InChIKey
- OXCPQFKTAITMMF-UHFFFAOYSA-N
- Compound name
- (4-pentylcyclohexyl) 4-(4-methoxycyclohexyl)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 387.28938 | 199.8 |
[M+Na]+ | 409.27132 | 199.1 |
[M-H]- | 385.27482 | 206.3 |
[M+NH4]+ | 404.31592 | 210.3 |
[M+K]+ | 425.24526 | 195.1 |
[M+H-H2O]+ | 369.27936 | 189.6 |
[M+HCOO]- | 431.28030 | 212.7 |
[M+CH3COO]- | 445.29595 | 221.8 |
[M+Na-2H]- | 407.25677 | 194.9 |
[M]+ | 386.28155 | 195.2 |
[M]- | 386.28265 | 195.2 |
Literature stripe
No literature data available for this compound.