CID 21595
Ethyl cyclohexylacetate
Structural Information
- Molecular Formula
- C10H18O2
- SMILES
- CCOC(=O)CC1CCCCC1
- InChI
- InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
- InChIKey
- ZBDAMDWKXGTKBT-UHFFFAOYSA-N
- Compound name
- ethyl 2-cyclohexylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.13796 | 139.9 |
[M+Na]+ | 193.11990 | 143.8 |
[M-H]- | 169.12340 | 142.3 |
[M+NH4]+ | 188.16450 | 160.0 |
[M+K]+ | 209.09384 | 143.3 |
[M+H-H2O]+ | 153.12794 | 134.1 |
[M+HCOO]- | 215.12888 | 159.4 |
[M+CH3COO]- | 229.14453 | 178.8 |
[M+Na-2H]- | 191.10535 | 143.3 |
[M]+ | 170.13013 | 137.3 |
[M]- | 170.13123 | 137.3 |