CID 3019939
84540-35-2
Structural Information
- Molecular Formula
- C26H40O2
- SMILES
- CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC
- InChI
- InChI=1S/C26H40O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h16-22,24H,3-15H2,1-2H3
- InChIKey
- NDGYDNIXYKYKAC-UHFFFAOYSA-N
- Compound name
- [4-(4-propylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.31011 | 201.1 |
[M+Na]+ | 407.29205 | 200.2 |
[M-H]- | 383.29555 | 207.5 |
[M+NH4]+ | 402.33665 | 211.8 |
[M+K]+ | 423.26599 | 195.2 |
[M+H-H2O]+ | 367.30009 | 191.0 |
[M+HCOO]- | 429.30103 | 213.5 |
[M+CH3COO]- | 443.31668 | 222.7 |
[M+Na-2H]- | 405.27750 | 195.6 |
[M]+ | 384.30228 | 195.4 |
[M]- | 384.30338 | 195.4 |
Literature stripe
No literature data available for this compound.