CID 21932727
76025-60-0
Structural Information
- Molecular Formula
- C21H32O2
- SMILES
- CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC
- InChI
- InChI=1S/C21H32O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h11-12,15-17,19H,3-10,13-14H2,1-2H3
- InChIKey
- ASFHPAUFWGSVGY-UHFFFAOYSA-N
- Compound name
- (4-pentylphenyl) 4-propylcyclohexane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 317.24751 | 181.5 |
[M+Na]+ | 339.22945 | 183.8 |
[M-H]- | 315.23295 | 186.2 |
[M+NH4]+ | 334.27405 | 195.7 |
[M+K]+ | 355.20339 | 179.9 |
[M+H-H2O]+ | 299.23749 | 173.1 |
[M+HCOO]- | 361.23843 | 198.8 |
[M+CH3COO]- | 375.25408 | 209.7 |
[M+Na-2H]- | 337.21490 | 180.1 |
[M]+ | 316.23968 | 180.9 |
[M]- | 316.24078 | 180.9 |
Literature stripe
No literature data available for this compound.