CID 31210
Butyl phenylacetate
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- CCCCOC(=O)CC1=CC=CC=C1
- InChI
- InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
- InChIKey
- LDOXTQYWWYXYSQ-UHFFFAOYSA-N
- Compound name
- butyl 2-phenylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 143.6 |
[M+Na]+ | 215.10426 | 149.8 |
[M-H]- | 191.10776 | 146.8 |
[M+NH4]+ | 210.14886 | 163.1 |
[M+K]+ | 231.07820 | 148.2 |
[M+H-H2O]+ | 175.11230 | 137.4 |
[M+HCOO]- | 237.11324 | 166.9 |
[M+CH3COO]- | 251.12889 | 183.7 |
[M+Na-2H]- | 213.08971 | 149.0 |
[M]+ | 192.11449 | 146.1 |
[M]- | 192.11559 | 146.1 |