CID 102849
Ethyl phenethyl acetal
Structural Information
- Molecular Formula
- C12H18O2
- SMILES
- CCOC(C)OCCC1=CC=CC=C1
- InChI
- InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
- InChIKey
- QQDGMPOYFGNLMT-UHFFFAOYSA-N
- Compound name
- 2-(1-ethoxyethoxy)ethylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.13796 | 144.9 |
[M+Na]+ | 217.11990 | 150.7 |
[M-H]- | 193.12340 | 148.0 |
[M+NH4]+ | 212.16450 | 164.3 |
[M+K]+ | 233.09384 | 149.6 |
[M+H-H2O]+ | 177.12794 | 138.5 |
[M+HCOO]- | 239.12888 | 167.9 |
[M+CH3COO]- | 253.14453 | 185.3 |
[M+Na-2H]- | 215.10535 | 150.2 |
[M]+ | 194.13013 | 148.1 |
[M]- | 194.13123 | 148.1 |